INFLUENCE OF STRUCTURAL DEFECTS ON THE ELECTRONIC PROPERTIES OF INTERSTITIAL ALLOYS - II. METAL SUBSTITUTIONAL IMPURITIES.

被引：15

作者：

Ivanovsky, A.L. ^{[1
]}

Anisimov, V.I. ^{[1
]}

Lichtenstein, A.I. ^{[1
]}

Gubanov, V.A. ^{[1
]}

机构：

[1] Acad of Sciences of the USSR, Sverdlovsk, USSR, Acad of Sciences of the USSR, Sverdlovsk, USSR

来源：

Journal of Physics and Chemistry of Solids | 1988年 / 49卷 / 05期

关键词：

NIOBIUM COMPOUNDS - Impurities - TITANIUM CARBIDE - Impurities - TITANIUM COMPOUNDS - Impurities - VANADIUM COMPOUNDS - Impurities;

D O I：

10.1016/0022-3697(88)90058-3

中图分类号：

学科分类号：

摘要：

The LMTO-Green's function method is used for the study of the electronic structure of refractory interstitial alloys (TiC, TiN, VC, NbC) containing isolated substitutional impurities in the metal sublattice. The impurities considered are 3d-and some of the 4d-metals. The presence of LDOS resonances in the region of the matrix DOS minimum has been revealed for elements of the VIa-VIIIa subgroups. Self-consistent spin-polarized calculations provide estimates of the values of the local magnetic moments for the above impurities. The special features of metal impurity electron distributions with 'anomalous' alloying are discussed for TiC-Mo, TiN-MO, TiN-Ni, wherein Mo and Ni atoms have been implanted at sites of the non-metal sublattice. The calculational results are compared with available X-ray emission spectra of the alloys Ti//x V//y C//z and Ti//xNb//yC//z.

引用

页码：479 / 486