X-ray spectra and electronic energy structure of carboaluminides Ti-Al-C

被引：0
|
作者：
V. V. Dyasov
I. Ya. Nikiforov
Yu. V. Ilyasov
机构：
[1] Don State Technical University,
来源：
Journal of Structural Chemistry | 2000年 / 41卷 / 3期
关键词：
Fermi Level; Titanium Carbide; XANES Spectrum; Antibonding State; Crystal Potential;
D O I：
10.1007/BF02741999
中图分类号：
学科分类号：
摘要：
The electronic energy structure, TiL2,3 X-ray emission, and TiL2j XANES spectra of diamond and titanium carboaluminides Ti-Al-C are calculated by the local coherent potential method in terms of multiple scattering theory. The cluster version of the MT approximation is used to calculate the crystal potential. The electronic energy structures of diamond and the ternary and binary titanium carbide systems are compared in a single approximation. The broadening of the hybridized band in Ti-Al-C is discussed and compared with the experimental CKα emission spectra. The specifics of chemical binding in the compounds is explained by delocalization of the carbon sp3 configuration and formation of a metal bond in carboaluminides.
引用
收藏
页码：409 / 417
页数：8
相关论文
共 50 条
  • [21] Electronic band structure and x-ray spectra of boron nitride polytypes
    V. V. Ilyasov
    T. P. Zhdanova
    I. Ya. Nikiforov
    Physics of the Solid State, 2003, 45 : 816 - 824
  • [22] X-ray Photoemission Spectra and Electronic Structure of Coumarin and its Derivatives
    Arachchilage, Anoja P. Wickrama
    Wang, Feng
    Feyer, Vitaliy
    Plekan, Oksana
    Acres, Robert G.
    Prince, Kevin C.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2016, 120 (36): : 7080 - 7087
  • [23] Ti L-spectrum XANES and electron structure of the system Ti-Al-C
    Ilyasov, VV
    Nikiforov, IY
    Ilyasov, YV
    JOURNAL DE PHYSIQUE IV, 1997, 7 (C2): : 281 - 282
  • [24] X-ray photoelectron spectra and electronic energy structure of tetragonal CuxNi1-xTi alloys
    Gelius, U
    Kolpachev, AB
    Kolpacheva, OV
    Nikiforov, IY
    Chularis, AA
    JOURNAL OF STRUCTURAL CHEMISTRY, 2002, 43 (06) : 932 - 938
  • [25] Simultaneous electronic transitions in X-ray spectra
    Wolf, M
    NATURE, 1930, 126 : 205 - 205
  • [26] X-ray spectra and electronic structure of 3C SiC and BN based solid solutions
    Ilyasov, VV
    Zhdanova, TP
    Nikiforov, IY
    Ilyasov, AV
    JOURNAL OF STRUCTURAL CHEMISTRY, 2001, 42 (01) : 99 - 108
  • [27] X-Ray Spectra and Electronic Structure of 3C SiC and BN Based Solid Solutions
    V. V. Ilyasov
    T. P. Zhdanova
    I. Ya. Nikiforov
    A. V. Ilyasov
    Journal of Structural Chemistry, 2001, 42 : 99 - 108
  • [28] Theoretical and experimental investigations of electronic structure and X-ray emission spectra of Fe3C
    Vakhnej, AG
    Antonov, VN
    Yaresko, AN
    Nemoshkalenko, VV
    Gavrilyuk, VG
    METALLOFIZIKA I NOVEISHIE TEKHNOLOGII, 1996, 18 (12): : 21 - 25
  • [29] Energy loss structure of x-ray photoelectron spectra of MgO and α-Al2O3
    Kohiki, S
    Arai, M
    Yoshikawa, H
    Fukushima, S
    JOURNAL OF PHYSICAL CHEMISTRY B, 1999, 103 (25): : 5296 - 5299
  • [30] Investigation of a Structure and Mechanical and Electrical Properties of Ti-Al-C System Composites
    R. Kandrotaitė-Janutienė
    D. Mažeika
    O. Sizonenko
    Strength of Materials, 2023, 55 : 566 - 574
12345