POLYMORPHIC PHASE-TRANSITION FOR INVERSE-POWER-POTENTIAL CRYSTALS KEEPING THE FIRST-ORDER ANHARMONIC CORRECTION TO THE FREE-ENERGY

被引：37

作者：

DUBIN, DHE ^{[1
]}

DEWITT, H ^{[1
]}

机构：

[1] LAWRENCE LIVERMORE NATL LAB,LIVERMORE,CA 94550

来源：

PHYSICAL REVIEW B | 1994年 / 49卷 / 05期

关键词：

D O I：

10.1103/PhysRevB.49.3043

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

An improved phase diagram for the polymorphic fcc-bcc phase transition of inverse-power-potential crystals is obtained through an exact analytic calculation of the crystalline free energy including the first-order [O(T-2), where T is the temperature] anharmonic term in the internal energy. The anharmonic correction reduces the region of bcc stability relative to the harmonic result, in qualitative agreement with recent Monte Carlo results for the l/r(6) potential.

引用

页码：3043 / 3048

页数：6

共 10 条

[1] 1ST-ORDER ANHARMONIC CORRECTION TO THE FREE-ENERGY OF A COULOMB CRYSTAL IN PERIODIC BOUNDARY-CONDITIONS [J].