STRUCTURAL-PROPERTIES OF A 3-DIMENSIONAL ALL-SP2 PHASE OF CARBON

被引：80

作者：

LIU, AY

COHEN, ML

HASS, KC

TAMOR, MA

机构：

[1] FORD MOTOR CO,RES STAFF,DEARBORN,MI 48121

[2] UNIV CALIF BERKELEY LAWRENCE BERKELEY LAB,DIV MAT SCI,BERKELEY,CA 94720

来源：

PHYSICAL REVIEW B | 1991年 / 43卷 / 08期

关键词：

D O I：

10.1103/PhysRevB.43.6742

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We have studied the structural properties of a recently proposed, hypothetical, all-sp2 phase of carbon, using the first-principles pseudopotential total-energy method. Our results are compared with those of an earlier tight-binding calculation. While the two calculations yield equilibrium volumes and bond lengths that are in excellent agreement, there are discrepancies in the cohesive energy, elastic constants, and predicted stability of this phase.

引用

页码：6742 / 6745

页数：4

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