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机译:Structural, mechanical, electronic and bonding properties of TMB2 (TM = Y, Sc, Ti) under pressure: a DFT investigation
Sichuan Normal Univ;
Southwest Univ Sci & Technol;
First-principles; structural properties; mechanical properties; electronic properties; high pressure; 63; 20; dk; 81; 40; Vw; 62; De; 71; 15; Dx; 91; 60; Gf; TRANSITION-METAL DIBORIDES; THERMODYNAMIC PROPERTIES; ELASTIC PROPERTIES; SUPERHARD MATERIAL; 1ST-PRINCIPLES; STABILITY; STIFFNESS; CONSTANTS;