Ternary half-metallics and related binary compounds: Stoichiometry, surface states, and spin

Physical Review B - Condensed Matter and Materials Physics

Volumn 70, Issue 24, 2004, Pages 1-11

  Jenkins, S J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALLOY; ANTIMONY; MANGANESE; NICKEL COMPLEX;

ARTICLE; ATOM; ELECTRON; ELECTRON SPIN RESONANCE; MATHEMATICAL ANALYSIS; POLARIZATION; STOICHIOMETRY; STRUCTURE ANALYSIS; SURFACE PROPERTY; THERMODYNAMICS; THERMOSTABILITY;

EID: 14944347363     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.245401     Document Type: Article

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33. β surface is almost precisely isoenergetic with the very edge of the allowed region for NiMnSb stability. It is therefore possible (especially given a reasonable allowance for error in the DFT calculations) that such a termination may in fact be stable in Ni-rich and Sb-poor conditions. We should also point out, of course, that surfaces that are only marginally unstable, from a thermodynamic standpoint, may also be achievable under conditions when kinetic considerations become important.