Dependence of the silicon lattice constant on isotopic mass

被引：35

作者：

Herrero, CP ^{[1
]}

机构：

[1] CSIC, Inst Ciencia Mat, Madrid 28049, Spain

来源：

SOLID STATE COMMUNICATIONS | 1999年 / 110卷 / 05期

关键词：

semiconductors; anharmonicity; thermal expansion;

D O I：

10.1016/S0038-1098(99)00082-4

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The dependence of the lattice parameter of silicon upon isotopic mass has been studied by quantum path-integral Monte Carlo simulations. The fractional change in the lattice parameter of Si-30 with respect to natural silicon is found to be Delta a/a = -4.4 and -2.9 x 10(-5) at 100 and 300 K, respectively. Our results are compared with earlier ab-initio calculations based on a quasiharmonic approximation. (C) 1999 Elsevier Science Ltd. All rights reserved.

引用

收藏

页码：243 / 246

页数：4

相关论文

共 28 条

[1]

[Anonymous], 1990, COMPUTER MODELLING F

[2] Tunnelling and zero-point motion in high-pressure ice [J].

Benoit, M ;

Marx, D ;

Parrinello, M .

NATURE, 1998, 392 (6673) :258-261

[3]

Binder K., 1988, MONTE CARLO SIMULATI

[4] EFFECT OF ISOTOPE CONCENTRATION ON THE LATTICE-PARAMETER OF GERMANIUM PERFECT CRYSTALS [J].

BUSCHERT, RC ;

MERLINI, AE ;

PACE, S ;

RODRIGUEZ, S ;

GRIMSDITCH, MH .

PHYSICAL REVIEW B, 1988, 38 (08) :5219-5221

[5] PATH-INTEGRALS IN THE THEORY OF CONDENSED HELIUM [J].

CEPERLEY, DM .

REVIEWS OF MODERN PHYSICS, 1995, 67 (02) :279-355

[6] Isotopic effects on the lattice constant in compound semiconductors by perturbation theory: An ab initio calculation [J].

Debernardi, A ;

Cardona, M .

PHYSICAL REVIEW B, 1996, 54 (16) :11305-11310

[7] VIBRATIONAL BAND MODES IN GERMANIUM - ISOTOPIC DISORDER-INDUCED RAMAN-SCATTERING [J].

FUCHS, HD ;

ETCHEGOIN, P ;

CARDONA, M ;

ITOH, K ;

HALLER, EE .

PHYSICAL REVIEW LETTERS, 1993, 70 (11) :1715-1718

[8] Dependence of the lattice parameters and the energy gap of zinc-blende-type semiconductors on isotopic masses [J].

Garro, N ;

Cantarero, A ;

Cardona, M ;

Gobel, A ;

Ruf, T ;

Eberl, K .

PHYSICAL REVIEW B, 1996, 54 (07) :4732-4740

[9] THE QUANTUM SIMULATION OF HYDROGEN IN METALS [J].

GILLAN, MJ .

PHILOSOPHICAL MAGAZINE A-PHYSICS OF CONDENSED MATTER STRUCTURE DEFECTS AND MECHANICAL PROPERTIES, 1988, 58 (01) :257-283

[10] THERMAL EXPANSION OF SILICON [J].

HALL, RO .

ACTA CRYSTALLOGRAPHICA, 1961, 14 (09) :1004-&