Electronic structure of some mono-, semi-titanium boride and diboride

被引：22

作者：

Mouffok, B

Feraoun, H

Aourag, H ^{[1
]}

机构：

[1] Univ Tlemeen, URMER, Lab Etude & Predict Mat, Tlemeen 13000, Algeria

[2] Univ Sidi Belabbes, Lab Synth Informat Environm, Sidi Bel Abbes 22000, Algeria

来源：

MATERIALS LETTERS | 2006年 / 60卷 / 12期

关键词：

electronic structure;

D O I：

10.1016/j.matlet.2005.11.085

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The electronic structure and chemical bonding mechanism of TiB, Ti2B and TiB2 are studied on the basis of charge density and total density of states and band structure calculations using the full-potential linearized augmented-plane-wave method (FP-LAPW). Results demonstrate the origin of the bonding formation in these compounds. (c) 2006 Elsevier B.V All rights reserved.

引用

页码：1433 / 1436

页数：4

共 14 条

[1]

[Anonymous], 1944, Proceedings of the National Academy of Sciences of the United States of America

[2] Elastic properties of in-situ processed Ti-TiB composites measured by impulse excitation of vibration [J].

Atri, RR ;

Ravichandran, KS ;

Jha, SK .

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 1999, 271 (1-2) :150-159

[3]

Blaha P, 2001, WIEN2K AUGMENTED PLA

[4]

CADEVILLE MC, 1962, CR HEBD ACAD SCI, V255, P3391

[5] TECHNIQUE FOR RELATIVISTIC SPIN-POLARIZED CALCULATIONS [J].

KOELLING, DD ;

HARMON, BN .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1977, 10 (16) :3107-3114

[6]

LIE K, 1991, PHYS REV B

[7] ENERGY-BANDS, ELECTRONIC PROPERTIES, AND MAGNETIC-ORDERING OF CRB2 [J].

LIU, SH ;

KOPP, L ;

ENGLAND, WB ;

MYRON, HW .

PHYSICAL REVIEW B, 1975, 11 (09) :3463-3468

[8] THE CALCULATED ELECTRONIC AND MAGNETIC-PROPERTIES OF THE TETRAGONAL TRANSITION-METAL SEMI-BORIDES [J].

MOHN, P .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1988, 21 (15) :2841-2851

[9] Superconductivity at 39 K in magnesium diboride [J].

Nagamatsu, J ;

Nakagawa, N ;

Muranaka, T ;

Zenitani, Y ;

Akimitsu, J .

NATURE, 2001, 410 (6824) :63-64

[10]

*NIST, 2000, J RES NIST, V105

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