Research output: Contribution to journal › Article › peer-review
Research output: Contribution to journal › Article › peer-review
}
TY - JOUR
T1 - Electronic properties of Al, Si‐containing solid solutions based on B1‐TiN, TiC determined by LMTO band structure calculations
AU - Ivanovsky, A. L.
AU - Medvedeva, N. I.
AU - Shveikin, G. P.
AU - Zhukovsky, V. M.
PY - 1996/5/1
Y1 - 1996/5/1
N2 - The results of nonempirical self-consistent band structure LMTO calculations of the electronic properties of B1-like solid solutions in Ti-Al-N-C and Ti-Si-N-C systems are given. The regularities of changing the electronic and energy parameters of solid solutions as a function of their composition are discussed. Direct Computer modelling of the influence of the possible, mechanisms of solid solution formations (according to Al, Si → C, N or Al, Si → Ti substitution types) on their band structure is carried out. The effect of oxygen impurities and nitrogen lattice vacancies on the electronic properties of the considered solid solutions is discussed taking Ti silicidonitride as an example. The results obtained are compared with recent XPS investigations of metastable B1-TiSixNy(O) films.
AB - The results of nonempirical self-consistent band structure LMTO calculations of the electronic properties of B1-like solid solutions in Ti-Al-N-C and Ti-Si-N-C systems are given. The regularities of changing the electronic and energy parameters of solid solutions as a function of their composition are discussed. Direct Computer modelling of the influence of the possible, mechanisms of solid solution formations (according to Al, Si → C, N or Al, Si → Ti substitution types) on their band structure is carried out. The effect of oxygen impurities and nitrogen lattice vacancies on the electronic properties of the considered solid solutions is discussed taking Ti silicidonitride as an example. The results obtained are compared with recent XPS investigations of metastable B1-TiSixNy(O) films.
UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=0041195522
U2 - 10.1002/pssb.2221950122
DO - 10.1002/pssb.2221950122
M3 - Article
VL - 195
SP - 195
EP - 208
JO - physica status solidi (b)
JF - physica status solidi (b)
SN - 0370-1972
IS - 1
ER -
ID: 55107360