FP-LAPW investigation of structural, electronic, and thermodynamic properties of Al3V and Al3Ti compounds

Physica B: Condensed Matter

Volumn 405, Issue 18, 2010, Pages 4045-4050

  Boulechfar, R ^a   Ghemid, S ^a   Meradji, H ^a   Bouhafs, B ^b  

^a BADJI MOKHTAR UNIVERSITY   (Algeria)

^b UNIVERSITY OF SIDI BEL ABBES   (Algeria)

Author keywords

Band structure; Density functional theory; FP LAPW; Intermetallic compounds; Thermal properties

Indexed keywords

EXCHANGE-CORRELATION POTENTIAL; FP-LAPW; FULL-POTENTIAL LINEARIZED AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATIONS; HEAT CAPACITIES; INTERMETALLIC COMPOUNDS; MOLECULAR VOLUME; PSEUDO-GAP; QUASI-HARMONIC DEBYE MODEL; THEORETICAL STUDY; THERMAL EXPANSION COEFFICIENTS; THERMAL PROPERTIES; TI COMPOUNDS; TOTAL ENERGY;

ALUMINUM; BAND STRUCTURE; DEBYE TEMPERATURE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; LITHIUM BATTERIES; METALLIC GLASS; PRESSURE EFFECTS; SEMICONDUCTING INTERMETALLICS; STRUCTURAL PROPERTIES; THERMAL EXPANSION;

DENSITY FUNCTIONAL THEORY;

EID: 77955469569     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2010.06.053     Document Type: Article

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