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Chemical Bonding Analysis in Ti1-x-yAlxTayN Solid Solutions

preprint
submitted on 23.10.2019 and posted on 25.10.2019 by Sergey Eremeev, A. R. Shugurov
A comprehensive study of the evolution of electronic structure and chemical bonding in disordered Ti1-xAlxN and Ti1-x-y AlxTayN systems was performed by means of ab initio density functional theory calculations using crystal orbital Hamilton population technique.

History

Email Address of Submitting Author

eremeev@ispms.tsc.ru

Institution

Institute of Strength Physics and Materials Science

Country

Russia

ORCID For Submitting Author

0000-0002-9477-3017

Declaration of Conflict of Interest

no conflict of interest

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