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• W2013774806 startingPage "2861" @default.
• W2013774806 abstract "The structural properties of the W(001)(1ifmmodetimeselsetexttimesfi{}1) surface are calculated using a fully self-consistent pseudopotential linear combination of atomic orbitals method. The surface energy [3.09 eV/(surface atom)], the top-layer relaxation (5.9%), and the relaxation energy (0.059 eV) we obtained are in good agreement with available experimental data and recent all-electron full-potential linear augmented-plane-wave results. The results demonstrate that the method can treat the structural properties of transition-metal surfaces accurately." @default.
• W2013774806 created "2016-06-24" @default.
• W2013774806 creator A5043950013 @default.
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• W2013774806 date "1986-02-15" @default.
• W2013774806 modified "2023-10-18" @default.
• W2013774806 title "Theoretical study of the surface energy and surface relaxation of the W(001) surface" @default.
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• W2013774806 doi "https://doi.org/10.1103/physrevb.33.2861" @default.
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