First-principles investigation of the elastic, electronic, and thermodynamic properties of a nitrogen-doped (Ti0.75W0.25)C solid solution

Article ID	Journal	Published Year	Pages	File Type
1592619	Solid State Communications	2013	6 Pages	PDF

Abstract

âº N addition increases the thermal stability of (Ti0.75W0.25)C at T<2000Â K. âº N resulted in low mechanical properties at working temperature due to phonon effect. âº The one “extra” electron from N occupies near Fermi level in anti-bonding orbit.

Keywords

D. elastic properties E. First-principles

Related Topics

Physical Sciences and Engineering Materials Science Materials Science (General)

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First-principles investigation of the elastic, electronic, and thermodynamic properties of a nitrogen-doped (Ti0.75W0.25)C solid solution

Authors

Zhe Gao, Shinhoo Kang,