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Análise das propriedades estruturais e electrónicas das super-redes by Samir Bekheira

Análise das propriedades estruturais e electrónicas das super-redes

by Samir Bekheira
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Book cover type: Paperback
  • ISBN13: 9786209280276
  • Binding: Paperback
  • Subject: N/A
  • Publisher: Edicoes Nosso Conhecimento
  • Publisher Imprint: Edicoes Nosso Conhecimento
  • Publication Date:
  • Pages: 84
  • Original Price: GBP 38.19
  • Language: Portuguese
  • Edition: N/A
  • Item Weight: 123 grams
  • BISAC Subject(s): Physics / General

Este trabalho envolve o estudo de super-redes de po�os qu�nticos baseadas em materiais semicondutores II/VI (CdTe)n/(HgTe)n. Estas heteroestruturas possuem propriedades interessantes tanto do ponto de vista estrutural como eletr�nico.Foi utilizado o m�todo de orbitais lineares de muffin-tin (FP-LMTO), baseado na teoria do funcional de densidade (DFT). A DFT � um dos m�todos ab initio. As energias de troca e correla��o s�o descritas atrav�s da aproxima��o do gradiente generalizado (GGA). As propriedades estruturais dos compostos CdTe e HgTe e das suas super-redes (CdTe)n/(HgTe)n foram calculadas para configura��es (n = 1 a 2) na fase zincblenda. Entre os principais resultados encontrados, o par�metro a_2,2 � duas vezes maior que a_(1,1).As propriedades estruturais calculadas dos compostos CdTe e HgTe apresentam uma boa concord�ncia com os dados experimentais e te�ricos dispon�veis.Com base nas propriedades eletr�nicas, observamos que os materiais CdTeet e HgTeet e as suas super-redes possuem um valor de band gap direto.

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