ANION-ANTISITE-LIKE DEFECTS IN III-V COMPOUNDS

被引:55
作者
CALDAS, MJ [1 ]
DABROWSKI, J [1 ]
FAZZIO, A [1 ]
SCHEFFLER, M [1 ]
机构
[1] FRITZ HABER INST,W-1000 BERLIN 33,GERMANY
关键词
D O I
10.1103/PhysRevLett.65.2046
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We report ab initio calculations of total energies and electronic structures of P, As, and Sb donors in GaAs and InP. In the Td geometry, all these defects exhibit two donor states in the forbidden gap: an internal optical excitation energy of the order of 1 eV, and a Franck-Condon shift of the order of 0.1 eV. All these defects possess a metastable geometry of the electrically neutral vacancy-interstitial pair with no donor states in the band gap. We discuss the differences between the six systems and explain why an optically inducible transition to the metastable state is inefficient for GaAs:SbGa. © 1990 The American Physical Society.
引用
收藏
页码:2046 / 2049
页数:4
相关论文
共 15 条
[1]   ELECTRONIC-STRUCTURE, TOTAL ENERGIES, AND ABUNDANCES OF THE ELEMENTARY POINT-DEFECTS IN GAAS [J].
BARAFF, GA ;
SCHLUTER, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (12) :1327-1330
[2]  
BAUMLER M, 1989, PHYS REV B, V40, P8072
[3]  
BAUMLER M, 1989, PHYS REV B, V39, P6253
[4]  
CALDAS MJ, IN PRESS
[5]   METASTABILITY OF THE ISOLATED ARSENIC-ANTISITE DEFECT IN GAAS [J].
CHADI, DJ ;
CHANG, KJ .
PHYSICAL REVIEW LETTERS, 1988, 60 (21) :2187-2190
[6]   THEORETICAL EVIDENCE FOR AN OPTICALLY INDUCIBLE STRUCTURAL TRANSITION OF THE ISOLATED AS ANTISITE IN GAAS - IDENTIFICATION AND EXPLANATION OF EL2 [J].
DABROWSKI, J ;
SCHEFFLER, M .
PHYSICAL REVIEW LETTERS, 1988, 60 (21) :2183-2186
[7]   ISOLATED ARSENIC-ANTISITE DEFECT IN GAAS AND THE PROPERTIES OF EL2 [J].
DABROWSKI, J ;
SCHEFFLER, M .
PHYSICAL REVIEW B, 1989, 40 (15) :10391-10401
[8]  
FAZZIO A, IN PRESS
[9]   GHOST STATES FOR SEPARABLE, NORM-CONSERVING, ABINITIO PSEUDOPOTENTIALS [J].
GONZE, X ;
KACKELL, P ;
SCHEFFLER, M .
PHYSICAL REVIEW B, 1990, 41 (17) :12264-12267
[10]   THEORY OF SUBSTITUTIONAL DEEP TRAPS IN COVALENT SEMICONDUCTORS [J].
HJALMARSON, HP ;
VOGL, P ;
WOLFORD, DJ ;
DOW, JD .
PHYSICAL REVIEW LETTERS, 1980, 44 (12) :810-813