TIGHT-BINDING MOLECULAR-DYNAMICS IN LIQUID III-V-COMPOUNDS .2. SIMULATIONS FOR GAAS AND GASB

被引：18

作者：

MOLTENI, C

COLOMBO, L

MIGLIO, L

机构：

[1] Dipartimento di Fisica, Milan Univ.

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1994年 / 6卷 / 28期

关键词：

D O I：

10.1088/0953-8984/6/28/004

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We apply the tight-binding scheme developed in the preceding paper to molecular-dynamics simulations of liquid GaAs and GaSb. We investigate structural, electronic and dynamical properties of both liquid samples and present a comparison to experimental and ab initio data. Finally, we discuss the reliability of the present tight-binding method for molecular dynamics in III-V compounds.

引用

页码：5255 / 5271

页数：17

共 29 条

[1]

[Anonymous], COMPUTER SIMULATIONS

[2] STRUCTURE OF BINARY LIQUID MIXTURES .I. [J].

ASHCROFT, NW ;

LANGRETH, DC .

PHYSICAL REVIEW, 1967, 156 (03) :685-&

[3]

Bathia A., 1970, PHYS REV B, V2, P3004

[4] ON THE ATOMIC-STRUCTURE OF LIQUID GAAS [J].

BERGMAN, C ;

BICHARA, C ;

CHIEUX, P ;

GASPARD, JP .

JOURNAL DE PHYSIQUE, 1985, 46 (C-8) :97-100

[5]

CAUSA M, 1992, COMMUNICATION

[6]

DEGIRONCOLI S, 1993, COMMUNICATION

[7] Forces in molecules [J].

Feynman, RP .

PHYSICAL REVIEW, 1939, 56 (04) :340-343

[8] STRUCTURAL-PROPERTIES OF III-V ZINCBLENDE SEMICONDUCTORS UNDER PRESSURE [J].

FROYEN, S ;

COHEN, ML .

PHYSICAL REVIEW B, 1983, 28 (06) :3258-3265

[9]

Glazov V. M., 1969, LIQUID SEMICONDUCTOR

[10]

HAFNER J, 1989, J PHYS CONDENS MATT, V1, P4325

← 1 2 3 →