Low temperature phase transformation in superionic conductors: a molecular dynamics study of silver sulfide

Upon lowering the temperature below 450 K the superionic solid Ag2 S undergoes a structural phase transformation from a bcc sulfur lattice with the space group Im3m to a monoclinic lattice with the space group P21 /c. We have successfully modeled this transformation using the variable size–shape for...

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Veröffentlicht in:	J. Chem. Phys.; (United States) 1989-06, Vol.90 (11), p.6580-6586
Hauptverfasser:	RAY, J. R, VASHISHTA, P
Format:	Artikel
Sprache:	eng
Schlagworte:	360602 - Other Materials- Structure & Phase Studies CHALCOGENIDES Condensed matter: structure, mechanical and thermal properties CRYSTAL-PHASE TRANSFORMATIONS Crystalline state (including molecular motions in solids) Crystallographic aspects of phase transformations pressure effects DISTRIBUTION FUNCTIONS ELECTRIC CONDUCTIVITY ELECTRICAL PROPERTIES ELECTROLYTES Exact sciences and technology FUNCTIONS IONIC CONDUCTIVITY LOW TEMPERATURE MATERIALS SCIENCE MEDIUM TEMPERATURE PHASE TRANSFORMATIONS PHYSICAL PROPERTIES Physics SILVER COMPOUNDS SILVER SULFIDES SOLIDS Structure of solids and liquids crystallography SULFIDES SULFUR COMPOUNDS TRANSITION ELEMENT COMPOUNDS
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