Chemical bonding and elastic properties of Ti3AC2 phases (A = Si, Ge, and Sn): A first-principle study

Solid State Sciences

Volumn 12, Issue 7, 2010, Pages 1220-1225

  Bai, Yuelei ^a   He, Xiaodong ^a   Sun, Yue ^a   Zhu, Chuncheng ^b   Li, Mingwei ^a   Shi, Liping ^a  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

Author keywords

A. Ti3AC2 phases; B. First principle; C. Elastic property; D. Bond stiffness

Indexed keywords

AB INITIO TOTAL ENERGY; ATOMIC RADIUS; BOND STIFFNESS; CHEMICAL BONDINGS; COHESIVE ENERGIES; ELASTIC ANISOTROPY; ELASTIC PROPERTIES; EXPERIMENTAL VALUES; FIRST-PRINCIPLE STUDY; FIRST-PRINCIPLES; INTERNAL COORDINATES; PLANE-WAVE PSEUDOPOTENTIAL METHOD; SOUND VELOCITIES;

ATOMS; CHEMICAL BONDS; CHEMICAL ELEMENTS; CRYSTAL ATOMIC STRUCTURE; DEBYE TEMPERATURE; ELASTICITY; ELECTRONIC STRUCTURE; FRACTURE TOUGHNESS; GERMANIUM; LATTICE CONSTANTS; SILICON; SILICON CARBIDE; STIFFNESS; TIN;

ELASTIC MODULI;

EID: 77953718861     PISSN: 12932558     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.solidstatesciences.2010.03.007     Document Type: Article

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