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Acta Physica Sinica (Overseas Edition), 1992, Vol. 1(1): 45-50    DOI: 10.1088/1004-423X/1/1/005
CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES Prev   Next  

FIRST-PRINCIPLE SELF-CONSISTENT PSEUDOPOTENTIAL CALCULATION OF THE ELECTRONIC STRUCTURES OF SHORT-PERIOD (GaAs)m(AlAs)n SUPERLATT1CES

FAN WEI-JUN (范卫军)ab, GU ZONG-QUAN (夏建白), XIA JIAN-BAI (顾宗权)ab, LI GUO-HUA (李国华)b
a Chinese Center of Advanced Science and Technology; b National Laboratory of Superlattice and Microstructure; Institute of Semiconductors, Academia Sinica, Beijing 100083, China
Abstract  With the local density approximation, the band structares of the short-period (GaAs)1(AlAs)1 and (GaAs)2(AlAs)1 superlattices are calculated by using the first-principle self-consistent pseudopotential method. The results show that the (GaAs)1(AlAs)1 superlattice is an indirect semiconductor, and the lowest conduction band state is at point R in the Brillouin zone; the (GaAs)2(AlAs)1 superlattice is a direct semiconductor and the lowest conduction band state is at point $\varGamma$. The squared matrix elements of transition are calculated. The pressure coefficients of energy gaps of the (GaAs)1(AlAs)1 and (GaAs)2(AlAs)1 superlattices are calculated and compared with those obtained by hydrostatic pressure experiments.
Received:  27 August 1991      Accepted manuscript online: 
PACS:  73.21.Cd (Superlattices)  
  71.15.Dx (Computational methodology (Brillouin zone sampling, iterative diagonalization, pseudopotential construction))  
  71.15.Mb (Density functional theory, local density approximation, gradient and other corrections)  

Cite this article: 

FAN WEI-JUN (范卫军), XIA JIAN-BAI (顾宗权), GU ZONG-QUAN (夏建白), LI GUO-HUA (李国华) FIRST-PRINCIPLE SELF-CONSISTENT PSEUDOPOTENTIAL CALCULATION OF THE ELECTRONIC STRUCTURES OF SHORT-PERIOD (GaAs)m(AlAs)n SUPERLATT1CES 1992 Acta Physica Sinica (Overseas Edition) 1 45

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