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Electronic Energy Structure of the Ternary Carbide System TiAlC
Author(s) -
Ilyasov V. V.,
Ya. Nikiforov I.,
Ilyasov Yu. V.
Publication year - 1996
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221980214
Subject(s) - ternary operation , electronic structure , materials science , valence (chemistry) , band gap , aluminium , carbide , valence band , doping , electronic band structure , semiconductor , scattering , crystal structure , condensed matter physics , crystallography , atomic physics , chemistry , metallurgy , physics , optoelectronics , optics , quantum mechanics , computer science , programming language
With the coherent potential method of the multiple scattering theory the electronic structure of the ternary carbide system Ti 1− x Al x C ( x = 0.17) is calculated. The cluster approximation with muffintin crystal potential is used. With the same method the electronic structure of the binary TiC system has been calculated for comparison. It was found that Ti 1− x Al x C ( x = 0.17) can be considered as a semiconductor with a narrow energy gap (2.18 eV). Aluminium doping results in an increase of the valence band width and a decrease of the cohesive energy.