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Today’s Outline - November 16, 2016 C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

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Page 1: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques

• Diffraction anomalous fine structure• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 2: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques

• Diffraction anomalous fine structure• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 3: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques• Diffraction anomalous fine structure

• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 4: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques• Diffraction anomalous fine structure• X-ray Raman spectroscopy

• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 5: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques• Diffraction anomalous fine structure• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering

• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 6: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques• Diffraction anomalous fine structure• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 7: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques• Diffraction anomalous fine structure• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 8: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques• Diffraction anomalous fine structure• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 9: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques• Diffraction anomalous fine structure• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the exam

Send me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 10: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Today’s Outline - November 16, 2016

• Resonant and inelastic techniques• Diffraction anomalous fine structure• X-ray Raman spectroscopy• Resonant inelastic x-ray scattering• X-ray emission spectroscopy

Homework Assignment #7:Chapter 7: 2,3,9,10,11due Monday, November 28, 2016

Final Exam, Wednesday, December 7, 2016, Stuart Building 2132 sessions: 09:00-12:00; 13:00-17:00; (this may change)

Provide me with the paper you intend to present and a preferred sessionfor the examSend me your presentation in Powerpoint or PDF format before beforeyour session

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 1 / 15

Page 11: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Diffraction anomalous fine structure (DAFS)

The real part of scattering factor of anatom has a resonance at the absorp-tion edge

An atom in a real solid or liquid showsEXAFS oscillations in the absorptioncross section which are reflected in theresonant term as well

This can be measured in Bragg reflec-tions contributed to by the atom withthe absorption edge and exploited toextract site specific information

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 2 / 15

Page 12: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Diffraction anomalous fine structure (DAFS)

The real part of scattering factor of anatom has a resonance at the absorp-tion edge

An atom in a real solid or liquid showsEXAFS oscillations in the absorptioncross section which are reflected in theresonant term as well

This can be measured in Bragg reflec-tions contributed to by the atom withthe absorption edge and exploited toextract site specific information

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 2 / 15

Page 13: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Diffraction anomalous fine structure (DAFS)

The real part of scattering factor of anatom has a resonance at the absorp-tion edge

An atom in a real solid or liquid showsEXAFS oscillations in the absorptioncross section which are reflected in theresonant term as well

This can be measured in Bragg reflec-tions contributed to by the atom withthe absorption edge and exploited toextract site specific information

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 2 / 15

Page 14: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Diffraction anomalous fine structure (DAFS)

The real part of scattering factor of anatom has a resonance at the absorp-tion edge

An atom in a real solid or liquid showsEXAFS oscillations in the absorptioncross section which are reflected in theresonant term as well

This can be measured in Bragg reflec-tions contributed to by the atom withthe absorption edge and exploited toextract site specific information

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 2 / 15

Page 15: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Diffraction anomalous fine structure (DAFS)

The real part of scattering factor of anatom has a resonance at the absorp-tion edge

An atom in a real solid or liquid showsEXAFS oscillations in the absorptioncross section which are reflected in theresonant term as well

This can be measured in Bragg reflec-tions contributed to by the atom withthe absorption edge and exploited toextract site specific information

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 2 / 15

Page 16: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

The DAFS experiment

As the energy is swept through the absorption edge, the angle of thesample and the detector are changed to remain in a Bragg condition.

Several peaks are measured to be able to extract information aboutindividual atomic sites.

Initially experiments were done on single crystals but now DAFS onpowders can be performed

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 3 / 15

Page 17: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

The DAFS experiment

As the energy is swept through the absorption edge, the angle of thesample and the detector are changed to remain in a Bragg condition.

Several peaks are measured to be able to extract information aboutindividual atomic sites.

Initially experiments were done on single crystals but now DAFS onpowders can be performed

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 3 / 15

Page 18: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

The DAFS experiment

As the energy is swept through the absorption edge, the angle of thesample and the detector are changed to remain in a Bragg condition.

Several peaks are measured to be able to extract information aboutindividual atomic sites.

Initially experiments were done on single crystals but now DAFS onpowders can be performed

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 3 / 15

Page 19: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

The DAFS experiment

As the energy is swept through the absorption edge, the angle of thesample and the detector are changed to remain in a Bragg condition.

Several peaks are measured to be able to extract information aboutindividual atomic sites.

Initially experiments were done on single crystals but now DAFS onpowders can be performed

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 3 / 15

Page 20: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

YBa2Cu3O7−δ is a defect perovskite struc-ture with two distinct copper sites

the two Cu sites have distinct local environ-ments, one has square-pyramidal coordina-tion and the second has square planar

with simple EXAFS, you will see a superpo-sition of the two sites in a 2:1 ratio

by measuring the DAFS of multiple diffrac-tion peaks, it is possible to separate the EX-AFS of the two Cu sites

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 4 / 15

Page 21: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

YBa2Cu3O7−δ is a defect perovskite struc-ture with two distinct copper sites

the two Cu sites have distinct local environ-ments, one has square-pyramidal coordina-tion and the second has square planar

with simple EXAFS, you will see a superpo-sition of the two sites in a 2:1 ratio

by measuring the DAFS of multiple diffrac-tion peaks, it is possible to separate the EX-AFS of the two Cu sites

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 4 / 15

Page 22: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

YBa2Cu3O7−δ is a defect perovskite struc-ture with two distinct copper sites

the two Cu sites have distinct local environ-ments, one has square-pyramidal coordina-tion and the second has square planar

with simple EXAFS, you will see a superpo-sition of the two sites in a 2:1 ratio

by measuring the DAFS of multiple diffrac-tion peaks, it is possible to separate the EX-AFS of the two Cu sites

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 4 / 15

Page 23: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

YBa2Cu3O7−δ is a defect perovskite struc-ture with two distinct copper sites

the two Cu sites have distinct local environ-ments, one has square-pyramidal coordina-tion and the second has square planar

with simple EXAFS, you will see a superpo-sition of the two sites in a 2:1 ratio

by measuring the DAFS of multiple diffrac-tion peaks, it is possible to separate the EX-AFS of the two Cu sites

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 4 / 15

Page 24: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

YBa2Cu3O7−δ is a defect perovskite struc-ture with two distinct copper sites

the two Cu sites have distinct local environ-ments, one has square-pyramidal coordina-tion and the second has square planar

with simple EXAFS, you will see a superpo-sition of the two sites in a 2:1 ratio

by measuring the DAFS of multiple diffrac-tion peaks, it is possible to separate the EX-AFS of the two Cu sites

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 4 / 15

Page 25: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 5 / 15

Page 26: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

The two Cu sites are distinctlydifferent in both edge positionand shape

the Fourier transform is also sig-nificantly different for the twosites, particularly the amplitudeof the Cu-O peak in the real-space EXAFS

combined in the 2:1 ratio, themeasured EXAFS is recovered

This data was taken on a singlecrystal but it is also possible tomeasure powders using DAFS

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 6 / 15

Page 27: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

The two Cu sites are distinctlydifferent in both edge positionand shape

the Fourier transform is also sig-nificantly different for the twosites, particularly the amplitudeof the Cu-O peak in the real-space EXAFS

combined in the 2:1 ratio, themeasured EXAFS is recovered

This data was taken on a singlecrystal but it is also possible tomeasure powders using DAFS

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 6 / 15

Page 28: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

The two Cu sites are distinctlydifferent in both edge positionand shape

the Fourier transform is also sig-nificantly different for the twosites, particularly the amplitudeof the Cu-O peak in the real-space EXAFS

combined in the 2:1 ratio, themeasured EXAFS is recovered

This data was taken on a singlecrystal but it is also possible tomeasure powders using DAFS

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 6 / 15

Page 29: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

The two Cu sites are distinctlydifferent in both edge positionand shape

the Fourier transform is also sig-nificantly different for the twosites, particularly the amplitudeof the Cu-O peak in the real-space EXAFS

combined in the 2:1 ratio, themeasured EXAFS is recovered

This data was taken on a singlecrystal but it is also possible tomeasure powders using DAFS

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 6 / 15

Page 30: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of YBa2Cu3O7

The two Cu sites are distinctlydifferent in both edge positionand shape

the Fourier transform is also sig-nificantly different for the twosites, particularly the amplitudeof the Cu-O peak in the real-space EXAFS

combined in the 2:1 ratio, themeasured EXAFS is recovered

This data was taken on a singlecrystal but it is also possible tomeasure powders using DAFS

‘Separated anomalous scattering amplitudes for the inequivalent Cu sites in YBa2Cu3O7−δ using DAFS,” J.O. Cross, M.Newville, L.B. Sorensen, H.J. Straiger, C.E. Bouldin, and J.C. Woicik, J. Phys. C2, 745-747 (1997).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 6 / 15

Page 31: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of maghemite γ-Fe2O3

In this study, a mixedphase material with Fe inboth phases, is measuredand the two sites of themaghemite (γ-Fe2O3) areseparated

one of the Fe sites isoctahedral and the othertetrahedral

DAFS can also be used toseparate different phaseswhich contain the sameelement in a heteroge-neous system or closelyoverlapping absorptionedges

“Diffraction anomalous fine structure study of iron/iron oxide nanoparticles,”C. Meneghini, F. Boscherini, L. Pasquini, and H. Renevier, J. Appl. Cryst.42, 642-645 (2009)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 7 / 15

Page 32: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of maghemite γ-Fe2O3

In this study, a mixedphase material with Fe inboth phases, is measuredand the two sites of themaghemite (γ-Fe2O3) areseparated

one of the Fe sites isoctahedral and the othertetrahedral

DAFS can also be used toseparate different phaseswhich contain the sameelement in a heteroge-neous system or closelyoverlapping absorptionedges

“Diffraction anomalous fine structure study of iron/iron oxide nanoparticles,”C. Meneghini, F. Boscherini, L. Pasquini, and H. Renevier, J. Appl. Cryst.42, 642-645 (2009)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 7 / 15

Page 33: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of maghemite γ-Fe2O3

In this study, a mixedphase material with Fe inboth phases, is measuredand the two sites of themaghemite (γ-Fe2O3) areseparated

one of the Fe sites isoctahedral and the othertetrahedral

DAFS can also be used toseparate different phaseswhich contain the sameelement in a heteroge-neous system or closelyoverlapping absorptionedges

“Diffraction anomalous fine structure study of iron/iron oxide nanoparticles,”C. Meneghini, F. Boscherini, L. Pasquini, and H. Renevier, J. Appl. Cryst.42, 642-645 (2009)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 7 / 15

Page 34: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

DAFS of maghemite γ-Fe2O3

In this study, a mixedphase material with Fe inboth phases, is measuredand the two sites of themaghemite (γ-Fe2O3) areseparated

one of the Fe sites isoctahedral and the othertetrahedral

DAFS can also be used toseparate different phaseswhich contain the sameelement in a heteroge-neous system or closelyoverlapping absorptionedges

“Diffraction anomalous fine structure study of iron/iron oxide nanoparticles,”C. Meneghini, F. Boscherini, L. Pasquini, and H. Renevier, J. Appl. Cryst.42, 642-645 (2009)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 7 / 15

Page 35: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray Raman (XRR)

X-ray Raman is a way to measure the XAS spectrum of light elementswhose absorption edges are below 2 keV.

hν hν

XRR

XAS

The x-ray absorption event consists of the ab-sorption of a photon and production of a pho-toelectron

X-ray Raman is a similar process which pro-duces a photoelectron but is an inelastic scat-tering process with an outgoing photon oflower energy

The incoming x-rays are high energy and thedetector is set to measure outgoing x-rayswhich are at a fixed energy. The incomingenergy is scanned and the processes detecteddepend on the difference in energy

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 8 / 15

Page 36: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray Raman (XRR)

X-ray Raman is a way to measure the XAS spectrum of light elementswhose absorption edges are below 2 keV.

hν hν

XRR

XAS

The x-ray absorption event consists of the ab-sorption of a photon and production of a pho-toelectron

X-ray Raman is a similar process which pro-duces a photoelectron but is an inelastic scat-tering process with an outgoing photon oflower energy

The incoming x-rays are high energy and thedetector is set to measure outgoing x-rayswhich are at a fixed energy. The incomingenergy is scanned and the processes detecteddepend on the difference in energy

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 8 / 15

Page 37: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray Raman (XRR)

X-ray Raman is a way to measure the XAS spectrum of light elementswhose absorption edges are below 2 keV.

hν hν

XRR

XAS

The x-ray absorption event consists of the ab-sorption of a photon and production of a pho-toelectron

X-ray Raman is a similar process which pro-duces a photoelectron but is an inelastic scat-tering process with an outgoing photon oflower energy

The incoming x-rays are high energy and thedetector is set to measure outgoing x-rayswhich are at a fixed energy. The incomingenergy is scanned and the processes detecteddepend on the difference in energy

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 8 / 15

Page 38: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray Raman (XRR)

X-ray Raman is a way to measure the XAS spectrum of light elementswhose absorption edges are below 2 keV.

hν hν

XRR

XAS

The x-ray absorption event consists of the ab-sorption of a photon and production of a pho-toelectron

X-ray Raman is a similar process which pro-duces a photoelectron but is an inelastic scat-tering process with an outgoing photon oflower energy

The incoming x-rays are high energy and thedetector is set to measure outgoing x-rayswhich are at a fixed energy.

The incomingenergy is scanned and the processes detecteddepend on the difference in energy

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 8 / 15

Page 39: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray Raman (XRR)

X-ray Raman is a way to measure the XAS spectrum of light elementswhose absorption edges are below 2 keV.

hν hν

XRR

XAS

The x-ray absorption event consists of the ab-sorption of a photon and production of a pho-toelectron

X-ray Raman is a similar process which pro-duces a photoelectron but is an inelastic scat-tering process with an outgoing photon oflower energy

The incoming x-rays are high energy and thedetector is set to measure outgoing x-rayswhich are at a fixed energy. The incomingenergy is scanned and the processes detecteddepend on the difference in energy

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 8 / 15

Page 40: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

The XRR experiment

“Bulk-sensitive XAS characterization of light elements: from x-ray Raman scattering to x-ray Raman spectroscopy,” U.Bergmann, P. Glatzel, and S. Cramer, Microchem. J. 71, 221-230 (2002)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 9 / 15

Page 41: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

The XRR experiment

“Bulk-sensitive XAS characterization of light elements: from x-ray Raman scattering to x-ray Raman spectroscopy,” U.Bergmann, P. Glatzel, and S. Cramer, Microchem. J. 71, 221-230 (2002)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 9 / 15

Page 42: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

XRR spectra of light elements

Comparison of XRRand XAS on graphite

Aromatic (solid) andaliphatic (dashed) car-bon K-edge x-ray Ra-man spectra

Li K-edge spectrafor LiOH ·H2O (top),Li2CO3 (middle), andLi4SiO4 (bottom).

“Bulk-sensitive XAS characterization of light elements: from x-ray Raman scattering to x-ray Raman spectroscopy,” U.Bergmann, P. Glatzel, and S. Cramer, Microchem. J. 71, 221-230 (2002)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 10 / 15

Page 43: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

XRR spectra of light elements

Comparison of XRRand XAS on graphite

Aromatic (solid) andaliphatic (dashed) car-bon K-edge x-ray Ra-man spectra

Li K-edge spectrafor LiOH ·H2O (top),Li2CO3 (middle), andLi4SiO4 (bottom).

“Bulk-sensitive XAS characterization of light elements: from x-ray Raman scattering to x-ray Raman spectroscopy,” U.Bergmann, P. Glatzel, and S. Cramer, Microchem. J. 71, 221-230 (2002)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 10 / 15

Page 44: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

XRR spectra of light elements

Comparison of XRRand XAS on graphite

Aromatic (solid) andaliphatic (dashed) car-bon K-edge x-ray Ra-man spectra

Li K-edge spectrafor LiOH ·H2O (top),Li2CO3 (middle), andLi4SiO4 (bottom).

“Bulk-sensitive XAS characterization of light elements: from x-ray Raman scattering to x-ray Raman spectroscopy,” U.Bergmann, P. Glatzel, and S. Cramer, Microchem. J. 71, 221-230 (2002)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 10 / 15

Page 45: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

Resonant inelastic x-ray scattering (RIXS)

νh νh

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 11 / 15

Page 46: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

RIXS measures electronic excitations

“Resonant inelastic x-ray scattering,” P.M. Platzman and E.D. Isaacs, Phys. Rev. B 57, 11108 (1998)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 12 / 15

Page 47: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

RIXS measures electronic excitations

“Resonant inelastic x-ray scattering,” P.M. Platzman and E.D. Isaacs, Phys. Rev. B 57, 11108 (1998)

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 12 / 15

Page 48: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

RIXS example

“Magnetic excitation spectra of Sr2IrO4 probed by resonant inelastic x-ray scattering: Establishing links to cupratesuperconductors,” J. Kim, D. Casa, M.H. Upton, T. Gog, Y.-J. Kim, J.F. Mitchell, M. van Veenendaal, M. Daghofer, J. van denBrink, G. Khaliullin, and B.J. Kim, Phys. Rev. Lett. 108, 177003 (2012).

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 13 / 15

Page 49: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray emission spectroscopy (XES)

sample

analyzer

2D detector

Normally a fluorescence line is mea-sured with a detector which cannotresolve its fine structure

with an XES analyzer, the fine fea-tures of the emission spectrum areseparated

the analyzer crystal diffracts dif-ferent energies at different an-gles, spreading the different ener-gies over the face of the 2D detec-tor

each crystal in the analyzer collectsthe same range of fluorescence en-ergies for a larger solid angle

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 14 / 15

Page 50: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray emission spectroscopy (XES)

sample

analyzer

2D detector

Normally a fluorescence line is mea-sured with a detector which cannotresolve its fine structure

with an XES analyzer, the fine fea-tures of the emission spectrum areseparated

the analyzer crystal diffracts dif-ferent energies at different an-gles, spreading the different ener-gies over the face of the 2D detec-tor

each crystal in the analyzer collectsthe same range of fluorescence en-ergies for a larger solid angle

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 14 / 15

Page 51: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray emission spectroscopy (XES)

sample

analyzer

2D detector

Normally a fluorescence line is mea-sured with a detector which cannotresolve its fine structure

with an XES analyzer, the fine fea-tures of the emission spectrum areseparated

the analyzer crystal diffracts dif-ferent energies at different an-gles, spreading the different ener-gies over the face of the 2D detec-tor

each crystal in the analyzer collectsthe same range of fluorescence en-ergies for a larger solid angle

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 14 / 15

Page 52: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray emission spectroscopy (XES)

sample

analyzer

2D detector

Normally a fluorescence line is mea-sured with a detector which cannotresolve its fine structure

with an XES analyzer, the fine fea-tures of the emission spectrum areseparated

the analyzer crystal diffracts dif-ferent energies at different an-gles, spreading the different ener-gies over the face of the 2D detec-tor

each crystal in the analyzer collectsthe same range of fluorescence en-ergies for a larger solid angle

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 14 / 15

Page 53: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray emission spectroscopy (XES)

sample

analyzer

2D detector

Normally a fluorescence line is mea-sured with a detector which cannotresolve its fine structure

with an XES analyzer, the fine fea-tures of the emission spectrum areseparated

the analyzer crystal diffracts dif-ferent energies at different an-gles, spreading the different ener-gies over the face of the 2D detec-tor

each crystal in the analyzer collectsthe same range of fluorescence en-ergies for a larger solid angle

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 14 / 15

Page 54: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

X-ray emission spectroscopy (XES)

Normally a fluorescence line is mea-sured with a detector which cannotresolve its fine structure

with an XES analyzer, the fine fea-tures of the emission spectrum areseparated

the analyzer crystal diffracts dif-ferent energies at different an-gles, spreading the different ener-gies over the face of the 2D detec-tor

each crystal in the analyzer collectsthe same range of fluorescence en-ergies for a larger solid angle

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 14 / 15

Page 55: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

RIXS spectrometer performance

The Pr-containing sample isplaced in a diamond anvil highpressure cell (DAC) and illumi-nated with energies near the PrL3 edge (5964 eV)

the spectrometer clearly sepa-rates the Pr Lα1 (5035.2 eV)and Lα2 (5015.7 eV) emissionlines

after integration, the two peakscan be seen to change relativeintensities and even position as afunction of the incident energy:just at the absorption edge and14 eV higher

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 15 / 15

Page 56: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

RIXS spectrometer performance

The Pr-containing sample isplaced in a diamond anvil highpressure cell (DAC) and illumi-nated with energies near the PrL3 edge (5964 eV)

the spectrometer clearly sepa-rates the Pr Lα1 (5035.2 eV)and Lα2 (5015.7 eV) emissionlines

after integration, the two peakscan be seen to change relativeintensities and even position as afunction of the incident energy:just at the absorption edge and14 eV higher

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 15 / 15

Page 57: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

RIXS spectrometer performance

The Pr-containing sample isplaced in a diamond anvil highpressure cell (DAC) and illumi-nated with energies near the PrL3 edge (5964 eV)

the spectrometer clearly sepa-rates the Pr Lα1 (5035.2 eV)and Lα2 (5015.7 eV) emissionlines

after integration, the two peakscan be seen to change relativeintensities and even position as afunction of the incident energy:just at the absorption edge and14 eV higher

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 15 / 15

Page 58: Today’s Outline - November 16, 2016csrri.iit.edu/~segre/phys570/16F/lecture_23.pdf · Today’s Outline - November 16, 2016 Resonant and inelastic techniques Di raction anomalous

RIXS spectrometer performance

The Pr-containing sample isplaced in a diamond anvil highpressure cell (DAC) and illumi-nated with energies near the PrL3 edge (5964 eV)

the spectrometer clearly sepa-rates the Pr Lα1 (5035.2 eV)and Lα2 (5015.7 eV) emissionlines

after integration, the two peakscan be seen to change relativeintensities and even position as afunction of the incident energy:just at the absorption edge and14 eV higher

C. Segre (IIT) PHYS 570 - Fall 2016 November 16, 2016 15 / 15