Atomistic simulation of a high-pressure phase of AgI using a three-body potential

被引：8

作者：

Sekkal, W ^{[1
]}

Laref, A

Zaoui, A

Aourag, H

Certier, M

机构：

[1] Univ Sidi Bel Abbes, Dept Phys, Computat Mat Sci Lab, Sidi Bel Abbes 22000, Algeria

[2] LPLI, F-57078 Metz 3, France

来源：

SOLID STATE COMMUNICATIONS | 1999年 / 112卷 / 01期

关键词：

insulators; crystal structure and symmetry; phase transitions; strain; high pressure;

D O I：

10.1016/S0038-1098(99)00257-4

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The structural properties of AgI under high pressure and high temperature have been investigated using molecular dynamics simulation based on Tersoff's potential. Superionic behaviour appears in the rocksalt-structured phase of AgI at high pressure and high temperature. Its high-diffusion coefficients are calculated from the mean squared atomic displacements. (C) 1999 Elsevier Science Ltd. All rights reserved.

引用

页码：49 / 54

页数：6

共 24 条

[1] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].

ANDERSEN, HC .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393

[2]

Chandra S., 1981, SUPERIONIC SOLIDS PR

[3]

Geller S., 1977, SOLID ELECTROLYTES

[4]

HARRISON WA, 1989, ELECT STRUCTURE PROP, V176

[5] Superionic behaviour in copper(I) chloride at high pressures and high temperatures [J].

Hull, S ;

Keen, DA .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1996, 8 (34) :6191-6198

[6] A POWDER NEUTRON-DIFFRACTION STUDY OF THE PRESSURE-INDUCED PHASE-TRANSITIONS WITHIN SILVER-IODIDE [J].

KEEN, DA ;

HULL, S .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1993, 5 (01) :23-32

[7] Structural evidence for a past-ion transition in the high-pressure rocksalt phase of silver iodide [J].

Keen, DA ;

Hull, S ;

Hayes, W ;

Gardner, NJG .

PHYSICAL REVIEW LETTERS, 1996, 77 (24) :4914-4917

[8]

Laskar A.L., 1989, SUPERIONIC SOLIDS SO

[9]

Mahan G., 1976, Superionic conductors, Physics of solids and liquids

[10] PRESSURE-DEPENDENCE OF THE ELASTIC-MODULI IN ALUMINUM-RICH AL-LI COMPOUNDS [J].

MEHL, MJ .

PHYSICAL REVIEW B, 1993, 47 (05) :2493-2500

← 1 2 3 →