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teoria RVB e a supercondutividade

Language PortuguesePortuguese
Book Paperback
Book teoria RVB e a supercondutividade Marconi Bezerra da Silva Costa
Libristo code: 06887462
Publishers Novas Edicoes Academicas, May 2013
Cálculos de orbitais moleculares usando a Teoria do Funcional de Densidade (DFT) em nível BLYP com f... Full description
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Cálculos de orbitais moleculares usando a Teoria do Funcional de Densidade (DFT) em nível BLYP com funçőes de base LanL1mb e LanL1dz foram executados para os supercondutores: Nb3Ge, MgB2, LaBa2Cu3Oy, La2-xSrxCuO4, YBa2Cu3Oy, TlBa2Ca2Cu3O8, HgBa2Ca2Cu3O8, LaO1-xFxFeAs e Ba1-xKxFe2As2. Utilizamos modelos de cluster baseados na célula unitária com os átomos de fronteira saturados com hidrogęnio. O cluster foi considerado diamagnético. Foram avaliados a distribuiçăo de cargas e o gap de energia HOMO-LUMO. Os resultados foram interpretados ŕ luz da teoria da ressonância năo-sincronizada das ligaçőes covalentes (RVB), originalmente proposta por Linus Pauling. Uma característica comum a todos os sistemas é a existęncia de um gap HOMO-LUMO da mesma ordem de magnitude do gap supercondutor e uma distribuiçăo de cargas compatível com a RVB. Os metais se encontram nos tręs estados de oxidaçăo e na proporçăo requerida pelo princípio da eletroneutralidade de Pauling. Estes resultados reforçam o modelo RVB e convalidam esta proposta como uma teoria alternativa para a compreensăo da supercondutividade. A coeręncia entre os argumentos da RVB e os resultados dos cálculos săo discutidos neste livro.

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About the book

Full name teoria RVB e a supercondutividade
Author Marconi Bezerra da Silva Costa
Language Portuguese
Binding Book - Paperback
Date of issue 2013
Number of pages 144
EAN 9783639895964
ISBN 3639895967
Libristo code 06887462
Publishers Novas Edicoes Academicas
Weight 222
Dimensions 152 x 229 x 9

Categories

Mathematics & Science > Chemistry > Physical chemistry
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