A comparative DFT study of the mechanical and electronic properties of greigite Fe3S4 and magnetite Fe3O4

Journal of Chemical Physics

Volumn 138, Issue 20, 2013, Pages

  Roldan, A ^a   Santos Carballal, D ^a   De Leeuw, N H ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; INVERSE PROBLEMS; IRON OXIDES; MAGNETITE; SATURATION MAGNETIZATION; STRAIN;

COULOMB REPULSIONS; INVERSE SPINEL STRUCTURES; MACROSCOPIC MECHANICAL PROPERTIES; MAGNETIZATION OF SATURATION; MECHANICAL AND ELECTRONIC PROPERTIES; NATURAL MINERALS; SPIN-POLARIZED DENSITY FUNCTIONAL THEORY; SYSTEMATIC STUDY;

SULFUR COMPOUNDS;

EID: 84879403641     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4807614     Document Type: Article

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