Polymorphism of newly discovered Ti4GaC3: A first-principles study

Acta Materialia

Volumn 59, Issue 14, 2011, Pages 5523-5533

  He, Xiaodong ^a   Bai, Yuelei ^a   Zhu, Chuncheng ^b   Barsoum, M W ^c  

^a HARBIN INSTITUTE OF TECHNOLOGY   (China)

^b HARBIN NORMAL UNIVERSITY   (China)

^c Drexel University   (United States)

Author keywords

Ab initio calculation; Compressibility; Elastic properties; MAX phase; Polymorphism

Indexed keywords

AB INITIO CALCULATIONS; ATOMIC ARRANGEMENT; BOND ANGLE; BOND STIFFNESS; BONDING STATE; ELASTIC PROPERTIES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; LOCAL MINIMUMS; MAX PHASE; RATE OF INCREASE; SPACE GROUPS; THEORETICAL DENSITY; TOTAL DENSITY OF STATE;

COMPRESSIBILITY; ELASTICITY; ELECTRONIC STRUCTURE; GALLIUM; PHASE STABILITY; STIFFNESS;

CALCULATIONS;

EID: 79960414733     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2011.05.025     Document Type: Article

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