Solid phosphorus carbide?

被引：19

作者：

Claeyssens, F

Allan, NL

May, PW

Ordejón, P

Oliva, JM

机构：

[1] Univ Bristol, Sch Chem, Bristol BS8 1TS, Avon, England

[2] CSIC, Inst Ciencia Mat Barcelona, E-08193 Barcelona, Spain

来源：

CHEMICAL COMMUNICATIONS | 2002年 / 21期

关键词：

D O I：

10.1039/b207743b

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The electronic structure of different phosphorus carbide solid phases with stoichiometry P4C3 is studied using first-principles density-functional calculations; the lowest energy phase is cubic defect zinc-blende with graphitic phases much higher in energy.

引用

页码：2494 / 2495

页数：2

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