These are preliminary reports that have not been peer-reviewed. They should not be regarded as conclusive, guide clinical practice/health-related behavior, or be reported in news media as established information. For more information, please see our FAQs.
Chemical Bonding Analysis in Ti1-x-yAlxTayN Solid Solutions
preprintsubmitted on 23.10.2019, 12:11 and posted on 25.10.2019, 19:32 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.