Theoretical study of FCC-HCP phase coexistence and phase stability in Al by FP-LAPW method with GGA for exchange and correlation

Physica B: Condensed Matter

Volumn 393, Issue 1-2, 2007, Pages 278-284

  Mishra, Vinayak ^a   Chaturvedi, S ^a  

^a INSTITUTE FOR PLASMA RESEARCH   (India)

Author keywords

Aluminum; Density functional theory; FP LAPW; Phase coexistence; Structural properties

Indexed keywords

APPROXIMATION THEORY; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; PHASE STABILITY; PRESSURE EFFECTS; STRUCTURAL PROPERTIES;

FULL POTENTIAL LINEAR AUGMENTED PLANE WAVE (FPLAPW); GENERALIZED GRADIENT APPROXIMATION (GGA); INTERNAL ENERGIES; PHASE COEXISTENCE;

ALUMINUM;

EID: 34047222391     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2007.01.015     Document Type: Article

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