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A theoretical investigation of titanium aluminium nitrides, (Ti, Al)N: Electronic structure and chemical bonding

✍ Scribed by D. Vogtenhuber-Pawelczak; P. Herzig; J. Klíma

Book ID
112514664
Publisher
Springer
Year
1991
Tongue
English
Weight
801 KB
Volume
84
Category
Article
ISSN
1434-6036

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Extended HuK ckel tight-binding calculations indicate that the valence electron count (VEC) of compounds adopting the Ti 5 Te 4type structure is imposed by metal+metal bonding. The average metal+metal overlap population is almost constant and maximum in the VEC range 44+50, which corresponds exactly