Generalized-stacking-fault energy and surface properties for HCP metals: A first-principles study

Applied Surface Science

Volumn 256, Issue 11, 2010, Pages 3409-3412

  Wu, Xiaozhi ^a   Wang, Rui ^a   Wang, Shaofeng ^a  

^a CHONGQING UNIVERSITY   (China)

Author keywords

First principles; Generalized stacking fault energy (GSF); HCP metals; Surface properties

Indexed keywords

BERYLLIUM COMPOUNDS; DENSITY FUNCTIONAL THEORY; MAGNESIUM COMPOUNDS; SPIN POLARIZATION; STACKING FAULTS; SURFACE PROPERTIES; TITANIUM COMPOUNDS; TRANSITION METALS; ZINC COMPOUNDS;

FIRST PRINCIPLES; FIRST-PRINCIPLES CALCULATION; FIRST-PRINCIPLES STUDY; GENERALIZED GRADIENT APPROXIMATIONS; GENERALIZED STACKING FAULT ENERGIES; HCP METALS; STACKING FAULT ENERGIES; VIENNA AB-INITIO SIMULATION PACKAGES;

CALCULATIONS;

EID: 77649184498     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.apsusc.2009.12.042     Document Type: Article

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