BAND PROPERTIES OF METALLIC CORUNDUM-PHASE V2O3

被引：85

作者：

MATTHEISS, LF

机构：

[1] AT and T Bell Labs., Murray Hill, NJ

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1994年 / 6卷 / 32期

关键词：

D O I：

10.1088/0953-8984/6/32/009

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Band structure results for metallic corundum-Phase V2O3 feature narrow (approximately 2.7 eV) t2g conduction bands and a density-of-states peak at E(F) such that the heat capacity to band ratio is approximately 4.4. The predominant V(3d) character of conduction electrons suggests that transport properties will be especially sensitive to cation disorder. It is proposed that the structural and resistivity anomalies that occur in Cr-doped samples may arise from dopants that are interstitial (i.e., at NiAs-type cation sites which are vacant in the corundum structure) rather than substitutional.

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页码：6477 / 6484

页数：8

相关论文

共 14 条

[1] LINEAR METHODS IN BAND THEORY [J].

ANDERSEN, OK .

PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083

[2]

[Anonymous], 1990, METAL INSULATOR TRAN

[3] BAND-STRUCTURE OF V2O3 AND TI2O3 [J].

ASHKENAZI, J ;

CHUCHEM, T .

PHILOSOPHICAL MAGAZINE, 1975, 32 (04) :763-785

[4]

Cracknell A. P., 1979, KRONECKER PRODUCT TA, V1

[5] Crystal structure of the low-temperature antiferromagnetic phase of V2O3 [J].

Dernier, P. D. ;

Marezio, M. .

PHYSICAL REVIEW B-SOLID STATE, 1970, 2 (09) :3771-3776

[6] CRYSTAL STRUCTURE OF V2O3 AND METAL-INSULATOR TRANSITION [J].

DERNIER, PD .

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1970, 31 (11) :2569-&

[7] METAL-INSULATOR TRANSITION INVESTIGATION IN V2O3 BY NUCLEAR MAGNETIC-RESONANCE AND RELAXATION [J].

KERLIN, AL ;

NAGASAWA, H ;

JEROME, D .

SOLID STATE COMMUNICATIONS, 1973, 13 (08) :1125-1129

[8] LINEAR AUGMENTED-PLANE-WAVE CALCULATION OF THE STRUCTURAL-PROPERTIES OF BULK CR, MO, AND W [J].

MATTHEISS, LF ;

HAMANN, DR .

PHYSICAL REVIEW B, 1986, 33 (02) :823-840

[9] Metal-insulator transition in (V1-xCrx)(2)O-3 [J].

McWhan, D. B. ;

Remeika, J. P. .

PHYSICAL REVIEW B-SOLID STATE, 1970, 2 (09) :3734-3750

[10] MOTT TRANSITION IN CR-DOPED V2O3 [J].

MCWHAN, DB ;

RICE, TM ;

REMEIKA, JP .

PHYSICAL REVIEW LETTERS, 1969, 23 (24) :1384-+