AB-INITIO STUDY OF POSITRON TRAPPING AT A VACANCY IN GAAS

被引:66
作者
GILGIEN, L [1 ]
GALLI, G [1 ]
GYGI, F [1 ]
CAR, R [1 ]
机构
[1] UNIV GENEVA,DEPT PHYS MAT CONDENSEE,CH-1211 GENEVA 4,SWITZERLAND
关键词
D O I
10.1103/PhysRevLett.72.3214
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a first-principles study of positron trapping at a negatively charged As vacancy in GaAs. Lattice relaxations induced both by the presence of the defect and of the positron have been included in a self-consistent way. In the presence of a positron, the volume of the vacancy increases and its symmetry is lowered. The positron wave function is well localized in the defect. Calculated positron lifetimes and angular correlations of annihilation photons are in good agreement with recent experiments.
引用
收藏
页码:3214 / 3217
页数:4
相关论文
共 22 条
[1]   ELECTRON LIQUID IN COLLECTIVE DESCRIPTION .3. POSITRON-ANNIHILATION [J].
ARPONEN, J ;
PAJANNE, E .
ANNALS OF PHYSICS, 1979, 121 (1-2) :343-389
[2]   ELECTRON-POSITRON DENSITY-FUNCTIONAL THEORY [J].
BORONSKI, E ;
NIEMINEN, RM .
PHYSICAL REVIEW B, 1986, 34 (06) :3820-3831
[3]   UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].
CAR, R ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474
[4]   POSITRON-ANNIHILATION SPECTROSCOPY OF NATIVE VACANCIES IN AS-GROWN GAAS [J].
CORBEL, C ;
STUCKY, M ;
HAUTOJARVI, P ;
SAARINEN, K ;
MOSER, P .
PHYSICAL REVIEW B, 1988, 38 (12) :8192-8208
[5]   STRUCTURE, ELECTRONIC-PROPERTIES, AND DEFECTS OF AMORPHOUS GALLIUM-ARSENIDE [J].
FOIS, E ;
SELLONI, A ;
PASTORE, G ;
ZHANG, QM ;
CAR, R .
PHYSICAL REVIEW B, 1992, 45 (23) :13378-13382
[6]   LOCAL DENSITY CALCULATION OF POSITRON-ANNIHILATION IN METALS [J].
JENSEN, KO .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (51) :10595-10602
[7]   EFFICACIOUS FORM FOR MODEL PSEUDOPOTENTIALS [J].
KLEINMAN, L ;
BYLANDER, DM .
PHYSICAL REVIEW LETTERS, 1982, 48 (20) :1425-1428
[8]  
Krause, 1987, PHYS STATUS SOLIDI A, V102, P443
[9]   CHARGE-STATE-DEPENDENT RELAXATION AND POSITRON STATES AT VACANCY DEFECTS IN GAAS [J].
LAASONEN, K ;
ALATALO, M ;
PUSKA, MJ ;
NIEMINEN, RM .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1991, 3 (37) :7217-7224
[10]   1ST-PRINCIPLES STUDY OF FULLY RELAXED VACANCIES IN GAAS [J].
LAASONEN, K ;
NIEMINEN, RM ;
PUSKA, MJ .
PHYSICAL REVIEW B, 1992, 45 (08) :4122-4130