Stability of fcc (110) transition and noble metal surfaces

• We have used density functional theory in conjunction with the full charge density linear muffin-tin orbitals method and a cluster expansion based on interatomic pair potentials to derive the energetics of vicinal surfaces on transition and noble metals,

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

density functional calculation; surface energy; vicinal surface; surface reconstruction; FULL CHARGE-DENSITY; ENERGY

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