FREEZING OF A QUANTUM HARD-SPHERE LIQUID AT ZERO TEMPERATURE - A DENSITY-FUNCTIONAL APPROACH

被引：34

作者：

DENTON, AR ^{[1
]}

NIELABA, P ^{[1
]}

RUNGE, KJ ^{[1
]}

ASHCROFT, NW ^{[1
]}

机构：

[1] CORNELL UNIV,CTR MAT SCI,ITHACA,NY 14853

来源：

PHYSICAL REVIEW LETTERS | 1990年 / 64卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.64.1529

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Quantum freezing of the Bose hard-sphere liquid is described by an extension of the classical modified weighted-density approximation to nonuniform quantum liquids at zero temperature. The theory requires structural and thermodynamic information for the corresponding uniform quantum liquid, which we have chosen to take, for the purpose of illustration, from the paired phonon analysis. Predictions for solid-phase energies and for freezing parameters are in generally good agreement with available simulation data. © 1990 The American Physical Society.

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页码：1529 / 1532

页数：4

相关论文

共 20 条

[1] STATISTICAL MECHANICAL THEORIES OF FREEZING - AN OVERVIEW [J].

BAUS, M .

JOURNAL OF STATISTICAL PHYSICS, 1987, 48 (5-6) :1129-1146

[2] SOLIDIFICATION INSTABILITY OF QUANTUM FLUIDS [J].

CHUI, ST .

PHYSICAL REVIEW B, 1990, 41 (01) :796-798

[3] WEIGHTED-DENSITY-FUNCTIONAL AND SIMULATION STUDIES OF THE BCC HARD-SPHERE SOLID [J].

CURTIN, WA ;

RUNGE, K .

PHYSICAL REVIEW A, 1987, 35 (11) :4755-4762

[4] DENSITY-FUNCTIONAL THEORY AND FREEZING OF SIMPLE LIQUIDS [J].

CURTIN, WA ;

ASHCROFT, NW .

PHYSICAL REVIEW LETTERS, 1986, 56 (26) :2775-2778

[5] WEIGHTED-DENSITY-FUNCTIONAL THEORY OF INHOMOGENEOUS LIQUIDS AND THE FREEZING TRANSITION [J].

CURTIN, WA ;

ASHCROFT, NW .

PHYSICAL REVIEW A, 1985, 32 (05) :2909-2919

[6] MODIFIED WEIGHTED-DENSITY-FUNCTIONAL THEORY OF NONUNIFORM CLASSICAL LIQUIDS [J].

DENTON, AR ;

ASHCROFT, NW .

PHYSICAL REVIEW A, 1989, 39 (09) :4701-4708

[7] NATURE OF THE LIQUID-VAPOR INTERFACE AND OTHER TOPICS IN THE STATISTICAL-MECHANICS OF NONUNIFORM, CLASSICAL FLUIDS [J].

EVANS, R .

ADVANCES IN PHYSICS, 1979, 28 (02) :143-200

[8] NEW MONTE-CARLO METHOD TO COMPUTE THE FREE-ENERGY OF ARBITRARY SOLIDS - APPLICATION TO THE FCC AND HCP PHASES OF HARD-SPHERES [J].

FRENKEL, D ;

LADD, AJC .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (07) :3188-3193

[9] FLUID-SOLID PHASE TRANSITION OF A HARD-SPHERE BOSE SYSTEM [J].

HANSEN, JP ;

LEVESQUE, D ;

SCHIFF, D .

PHYSICAL REVIEW A, 1971, 3 (02) :776-&

[10] FREEZING AND INTERFACES - DENSITY FUNCTIONAL THEORIES IN 2 AND 3 DIMENSIONS [J].

HAYMET, ADJ .

PROGRESS IN SOLID STATE CHEMISTRY, 1986, 17 (01) :1-32