Um Problema de Interferência Quântica em Nanoestruturas Metálicas
DOI:
https://doi.org/10.5540/tema.2012.013.01.0097Abstract
Um problema relacionado ao fenômeno de interferência quântica em um sistema nanoestruturado é investigado através do estudo da segregação de impurezas substitucionais. Tais sistemas são formados pela justaposição de camadas de átomos de metais de transição. A segregação de impurezas substitucionais é tratada a partir do cálculo da variação da energia eletrônica total do sistema, considerando as posições da impureza relativamente à superficie. Empregamos o modelo de ligações fortes, com apenas um orbital por sítio, sendo os potenciais das impurezas determinados de modo a satisfazer a neutralidade de carga através da regra de soma de Friedel. Consideramos uma rede cúbica simples e as direções (100) e (110).References
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