STRUCTURE OF B13C2

被引：86

作者：

BYLANDER, DM

KLEINMAN, L

机构：

[1] Department of Physics, University of Texas, Austin

来源：

PHYSICAL REVIEW B | 1991年 / 43卷 / 02期

关键词：

D O I：

10.1103/PhysRevB.43.1487

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

By comparing calculated lattice, constants with x-ray data as well as by comparison of calculated free energies, we find that the correct structure of B13C2 is B12(CBC) rather than B11C(BBC), as had been suggested. We also show that B12C3 is stable against 13B12C3-->12B13C2 + 15C as is B13C2 against 3B13C2-->2B12C3 + 15B.

引用

页码：1487 / 1491

页数：5

共 13 条

[1] SELF-CONSISTENT CALCULATIONS OF THE ENERGY-BANDS AND BONDING PROPERTIES OF B-12(C-3) [J].

BYLANDER, DM ;

KLEINMAN, L ;

LEE, S .

PHYSICAL REVIEW B, 1990, 42 (02) :1394-1403

[2] STRUCTURE AND SINGLE-PHASE REGIME OF BORON CARBIDES [J].

EMIN, D .

PHYSICAL REVIEW B, 1988, 38 (09) :6041-6055

[3]

Emin D., 1987, Novel Refractory Semiconductors Symposium, P83

[4]

HOARD JL, 1967, CHEM BORON ITS COMPO, P25

[5] NATURE OF THE CHEMICAL BONDING IN BORON-CARBIDE, B13C2 .1. STRUCTURE REFINEMENT [J].

KIRFEL, A ;

GUPTA, A ;

WILL, G .

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1979, 35 (MAY) :1052-1059

[6]

Larson A. C., 1986, AIP Conference Proceedings, P109, DOI 10.1063/1.35619

[7] BANDS AND BONDS OF B-12 [J].

LEE, S ;

BYLANDER, DM ;

KLEINMAN, L .

PHYSICAL REVIEW B, 1990, 42 (02) :1316-1320

[8]

Morosin B., 1986, AIP Conference Proceedings, P70, DOI 10.1063/1.35589

[9]

SWITENDICK AC, 1990, NATO ADV STUDY I E, V185

[10] BORON-CARBIDE STRUCTURE BY RAMAN-SPECTROSCOPY [J].

TALLANT, DR ;

ASELAGE, TL ;

CAMPBELL, AN ;

EMIN, D .

PHYSICAL REVIEW B, 1989, 40 (08) :5649-5656

← 1 2 →