A density functional study of the high-pressure chemistry of MSiN 2(M = Be, Mg, Ca): Prediction of high-pressure phases and examination of pressure-induced decomposition

Journal of Physics Condensed Matter

Volumn 21, Issue 27, 2009, Pages

  Rebecca Romer S ^a   Kroll, Peter ^b   Schnick, Wolfgang ^a  

^a UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF TEXAS AT ARLINGTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AMBIENT PRESSURES; BINARY NITRIDES; BULK MODULUS; CHALCOPYRITE-TYPE; CRISTOBALITE; DENSITY-FUNCTIONAL METHODS; ENERGY VOLUME; GROUP-SUBGROUP RELATIONS; HIGH-PRESSURE CHEMISTRY; HIGH-PRESSURE PHASIS; INTERMEDIATE PHASIS; INTERMEDIATE STRUCTURES; METASTABLE MODIFICATIONS; NITRIDOSILICATES; NORMAL PRESSURE; PHASE TRANSFORMATION; PRESSURE-INDUCED DECOMPOSITIONS; STRUCTURE TYPE; TETRAHEDRAL COORDINATION; TYPE STRUCTURES; WURTZITE;

AGGLOMERATION; CALCIUM; COPPER COMPOUNDS; NITRIDES; POSITIVE IONS; SILICATE MINERALS; SILICON; SODIUM CHLORIDE; ZINC SULFIDE;

THERMODYNAMIC STABILITY;

EID: 67651151445     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/27/275407     Document Type: Article

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