Investigation of structural, electronic and anisotropic elastic properties of Ru-doped WB₂ compound by increased valence electron concentration

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• 作者：Gokhan Surucu^a ; ^b ; ^{g_surucu@yahoo.com} ; Cagil Kaderoglu^c ; Engin Deligoz^d ; Haci Ozisik^d
• 关键词：W1&minus ; xRuxB2 ; Density functional theory (DFT) ; Anisotropy ; Mechanical properties ; Electronic structure ; Site occupancy
• 刊名：Materials Chemistry and Physics
• 出版年：2017
• 出版时间：1 March 2017
• 年：2017
• 卷：189
• 期：Complete
• 页码：90-95
• 全文大小：1262 K
• 卷排序：189

文摘

Effects of Ru substitution in WB2 using increased valence electron concentration. Structural, electronic, mechanic and elastic properties for increasing Ru content. Considered alloys are incompressible, brittle, stiffer and high hard materials.