Orientational ordering, tilting and lone-pair activity in the perovskite methylammonium tin bromide, CH3NH3SnBr3

Acta Crystallographica Section B: Structural Science

Volumn 66, Issue 4, 2010, Pages 422-429

  Swainson, Ian ^a   Chi, Lisheng ^a   Her, Jae Hyuk ^b   Cranswick, Lachlan ^a   Stephens, Peter ^b   Winkler, Björn ^c   Wilson, Daniel J ^c   Milman, Victor ^d  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b STONY BROOK UNIVERSITY   (United States)

^c GOETHE UNIVERSITY   (Germany)

^d Accelrys Limited UK   (United Kingdom)

Author keywords

Density functional theory; Lone pair activity; Order; Synchrotron powder diffraction; Tilting

Indexed keywords

AMINE GROUPS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; ENERGY COST; FERROELECTRIC DISTORTION; FERROELECTRIC MODES; GROUP ANALYSIS; IN-PHASE; LONE PAIR; ORDER PARAMETER; ORGANIC COMPONENTS; ORIENTATIONAL ORDERINGS; SUB-LATTICES; SYNCHROTRON POWDER DIFFRACTION; TEMPERATURE PHASE; TRICLINIC CELLS;

BROMINE COMPOUNDS; FERROELECTRICITY; OXIDE MINERALS; PEROVSKITE; SYNCHROTRONS; TIME VARYING SYSTEMS; TIN; TITANIUM COMPOUNDS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 77954833802     PISSN: 01087681     EISSN: 01087681     Source Type: Journal    
DOI: 10.1107/S0108768110014734     Document Type: Article

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