ZERO-POINT MOTION AND THE INSULATOR-METAL TRANSITION IN SOLID MOLECULAR-HYDROGEN

被引：44

作者：

SURH, MP

BARBEE, TW

MAILHIOT, C

机构：

[1] Lawrence Livermore National Laboratory, University of California, Livermore

来源：

PHYSICAL REVIEW LETTERS | 1993年 / 70卷 / 26期

关键词：

D O I：

10.1103/PhysRevLett.70.4090

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Candidate structures for molecular hydrogen in the 150 GPa pressure range are examined using ab initio frozen-phonon calculations in the local density approximation. Vibronic zero-point motion yields important contributions to the relative energies of metallic versus insulating phases. A first-order insulator-metal transition is found, with features in qualitative accord with experiment. Our results imply that an observed transition in solid molecular hydrogen is an insulator-metal-molecular-orientation transition driven by the vibron zero-point motion itself.

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页码：4090 / 4093

页数：4

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