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Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

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Page 1: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 2: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 3: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 4: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

S.G. Louie, em Conceptual Foundations of Materials, Eds. S.G. Louie e M.L. Cohen, Elsevier, 2006.

Page 5: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 6: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

Yin e Cohen, 1982.

Page 7: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 8: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

Extraído do Marder.

Page 9: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 10: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 11: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

Staroverov et al., PRB (2004)

Page 12: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

Staroverov et al., PRB (2004)

Page 13: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

Staroverov et al., PRB (2004)

Page 14: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 15: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 16: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 17: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 18: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance
Page 19: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

S.G. Louie, em Conceptual Foundations of Materials, Eds. S.G. Louie e M.L. Cohen, Elsevier, 2006.

Page 20: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

S.G. Louie, em Conceptual Foundations of Materials, Eds. S.G. Louie e M.L. Cohen, Elsevier, 2006.

Page 21: Sites do IFGWsites.ifi.unicamp.br/brum/files/2014/01/DFT-AbInit.pdf · MBJ-KSLDA 4.9 1.2 0.9 2.3 5.9 2.8 1.6 2.3 3.7 2.7 5.6 2.7 A-SOILDA 5.3 1.0 0.9 24 5.8 3.9 1.5 3.6 3.0 5.3 Distance

Xe – Chaham et al.,

S.G. Louie, em Conceptual Foundations of Materials, Eds. S.G. Louie e M.L. Cohen, Elsevier, 2006.


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