Ab initio modeling of complex amorphous transition-metal-based ceramics

Journal of Physics Condensed Matter

Volumn 23, Issue 2, 2011, Pages

  Houska, J ^a   Kos, S ^a  

^a UNIVERSITY OF WEST BOHEMIA   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO MODELING; AMORPHOUS TRANSITION; AUTOMATIC ANALYSIS; BONDING ANALYSIS; BONDING STRUCTURE; CENTER-BASED; COMPUTATIONAL METHODOLOGY; D ELECTRONS; DIVERSE APPLICATIONS; ELECTRONIC SPECTRUM; HIGH TEMPERATURE; MODIFIED ALGORITHMS; PHYSICAL PHENOMENA; WANNIER FUNCTIONS;

ALGORITHMS; ATOMIC SPECTROSCOPY; CERAMIC MATERIALS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; NIOBIUM OXIDE; NITRIDES; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

METAL ANALYSIS;

COORDINATION COMPOUND; TRANSITION ELEMENT;

ALGORITHM; ARTICLE; CERAMICS; CHEMICAL MODEL; CHEMISTRY; ELECTRON; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; CERAMICS; COORDINATION COMPLEXES; ELECTRONS; MODELS, CHEMICAL; QUANTUM THEORY; THERMODYNAMICS; TRANSITION ELEMENTS;

EID: 78651482824     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/2/025502     Document Type: Article

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