Band structure calculations of ferromagnetic chromium tellurides CrSiTe3 and CrGeTe3

被引：98

作者：

Siberchicot, B ^{[1
]}

Jobic, S ^{[1
]}

Carteaux, V ^{[1
]}

Gressier, P ^{[1
]}

机构：

[1] UNIV NANTES,LAB CHIM SOLIDES,INST MAT,CNRS,UMR 110,F-44072 NANTES,FRANCE

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1996年 / 100卷 / 14期

关键词：

D O I：

10.1021/jp952188s

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Band structure calculations using the spin-polarized ASW method were performed on the title compounds, Nonmetallic behavior is attributed to spin-polarization-induced opening of a gap at the Fermi level. Curie temperatures were calculated and found to be in reasonable agreement with the real evolution of silicon and germanium derivatives.

引用

页码：5863 / 5867

页数：5

共 26 条

[11]

Goodenough J. B., 1963, MAGNETISM CHEM BOND

[12]

KUBLER J, 1988, J APPL PHYS, V63, P3482, DOI 10.1063/1.340744

[13] MAGNETISM IN IRON AROUND THE CURIE-TEMPERATURE - RECURSION CALCULATIONS ON REGULAR SPIN CONFIGURATIONS WITH A FULL SPD HAMILTONIAN [J].

LUCHINI, MU ;

HEINE, V .

JOURNAL OF PHYSICS-CONDENSED MATTER, 1989, 1 (45) :8961-8977

[14] THE CRYSTAL-STRUCTURE OF CR2SI2TE6 - CORRIGENDUM [J].

MARSH, RE .

JOURNAL OF SOLID STATE CHEMISTRY, 1988, 77 (01) :190-191

[15] BOND ANALYSIS OF HEATS OF FORMATION - APPLICATION TO SOME GROUP VIII AND IB HYBRIDES [J].

METHFESSEL, M ;

KUBLER, J .

JOURNAL OF PHYSICS F-METAL PHYSICS, 1982, 12 (01) :141-161

[16] SYNTHESIS AND CRYSTAL-STRUCTURE OF A NEW LAYERED PHASE - THE CHROMIUM HEXATELLUROSILICATE CR2SI2TE6 [J].

OUVRARD, G ;

SANDRE, E ;

BREC, R .

JOURNAL OF SOLID STATE CHEMISTRY, 1988, 73 (01) :27-32

[17] REVISED EFFECTIVE IONIC-RADII AND SYSTEMATIC STUDIES OF INTERATOMIC DISTANCES IN HALIDES AND CHALCOGENIDES [J].

SHANNON, RD .

ACTA CRYSTALLOGRAPHICA SECTION A, 1976, 32 (SEP1) :751-767

[18] ELECTRONIC AND MAGNETIC-PROPERTIES OF COPPER-CONTAINING CHROMIUM SULFOSPINEL - A 1ST-PRINCIPLES STUDY [J].

SIBERCHICOT, B .

IEEE TRANSACTIONS ON MAGNETICS, 1993, 29 (06) :3249-3251

[19] Collective electron ferromagnetism [J].

Stoner, EC .

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1938, 165 (A922) :0372-0414

[20]

STONER EC, 1939, P ROY SOC LONDON, V169, P3339

← 1 2 3 →