Thermal phase transformations in LaGaO 3 and LaAlO 3 perovskites: An experimental and computational solid-state NMR study

Solid State Nuclear Magnetic Resonance

Volumn 42, Issue , 2012, Pages 87-97

  Blanc, Frédéric ^a,b   Middlemiss, Derek S ^a,b   Buannic, Lucienne ^a   Palumbo, John L ^a   Farnan, Ian ^b   Grey, Clare P ^a,b  

^a STONY BROOK UNIVERSITY   (United States)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

GIPAW calculations; LaAlO 3; LaGaO 3; Multinuclear solid state NMR; Perovskites

Indexed keywords

CALCULATED VALUES; ELECTROLYTE MATERIAL; EXPERIMENTAL DATA; HIGH-TEMPERATURE POLYMORPH; INTERMEDIATE TEMPERATURE SOLID OXIDE FUEL CELL; IT-SOFCS; LAALO 3; LAGAO 3; LOCAL DISTORTION; MAS NMR; MULTINUCLEAR SOLID STATE NMR; NMR SPECTRUM; OCTAHEDRAL TILTING; QUADRUPOLAR COUPLING CONSTANTS; SHIFT PARAMETERS; SMALL VARIATIONS; SOLID STATE NMR; SOLID-STATE DFT CALCULATIONS; THERMAL PHASE;

ALUMINUM; DENSITY FUNCTIONAL THEORY; INTERMETALLICS; LANTHANUM ALLOYS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PEROVSKITE; PHASE TRANSITIONS;

GALLIUM;

CALCIUM DERIVATIVE; OXIDE; PEROVSKITE; TITANIUM;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; HEAT; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; PHASE TRANSITION; TEMPERATURE;

CALCIUM COMPOUNDS; COMPUTER SIMULATION; HOT TEMPERATURE; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, MOLECULAR; OXIDES; PHASE TRANSITION; TEMPERATURE; TITANIUM;

EID: 84858798465     PISSN: 09262040     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssnmr.2012.01.003     Document Type: Article

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