Stability and metastability of clusters in a reactive atmosphere: Theoretical evidence for unexpected stoichiometries of MgMO x

Physical Review Letters

Volumn 111, Issue 13, 2013, Pages

  Bhattacharya, Saswata ^a   Levchenko, Sergey V ^a   Ghiringhelli, Luca M ^a   Scheffler, Matthias ^a  

^a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC THERMODYNAMICS; ENVIRONMENTAL PRESSURES; EXCHANGE-CORRELATION FUNCTIONALS; METAL-OXIDE CLUSTERS; NON-STOICHIOMETRIC; QUALITATIVE PREDICTIONS; REACTIVE ATMOSPHERES; THERMODYNAMIC EQUILIBRIA;

THERMODYNAMICS;

DENSITY FUNCTIONAL THEORY;

EID: 84884775856     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.111.135501     Document Type: Article

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