Structural and thermal properties of LaMnO3 from neutron diffraction and first principles studies

Journal of Physics Condensed Matter

Volumn 23, Issue 24, 2011, Pages

  Wdowik, Urszula D ^a   Ouladdiaf, Bachir ^b   Chatterji, Tapan ^b  

^a PEDAGOGICAL UNIVERSITY   (Poland)

^b INSTITUT LAUE LANGEVIN   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL VOLUME; DENSITY FUNCTIONAL THEORY CALCULATIONS; DISORDERED STRUCTURES; EXPERIMENTAL DATA; EXPERIMENTAL INVESTIGATIONS; FIRST-PRINCIPLES STUDY; JAHN TELLER DISTORTIONS; JAHN TELLER EFFECT; JAHN-TELLER; JAHN-TELLER TRANSITION; LOCAL SCALE; LONG RANGE ORDERS; ORBITAL ORDER; ORDERED STATE; OXYGEN OCTAHEDRA; PHASE TRANSFORMATION; POWDER SAMPLES; RESIDUAL DISTORTIONS; STRUCTURAL PARAMETER; STRUCTURAL PHASE TRANSITION; STRUCTURAL TRANSFORMATION; TEMPERATURE DEPENDENCE; THEORETICAL PREDICTION; THEORETICAL STUDY; THERMAL MOTION;

DIFFRACTION; MANGANESE; MANGANESE OXIDE; PHASE TRANSITIONS; THERMODYNAMIC PROPERTIES;

DENSITY FUNCTIONAL THEORY;

LANTHANUM; MANGANESE DERIVATIVE; MANGANESE OXIDE; OXIDE;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; NEUTRON DIFFRACTION; TEMPERATURE;

COMPUTER SIMULATION; LANTHANUM; MANGANESE COMPOUNDS; MODELS, CHEMICAL; MODELS, MOLECULAR; NEUTRON DIFFRACTION; OXIDES; TEMPERATURE;

EID: 79958191859     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/23/24/245402     Document Type: Article

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