Quantum-chemical modeling of squaric acid ferroelectric behavior

International Journal of Quantum Chemistry

Volumn 111, Issue 11, 2011, Pages 2671-2676

  Dolin, S P ^a   Levin, A A ^a   Mikhailova, T Yu ^a   Solin, M V ^b   Zinova, N V ^c  

^a KURNAKOV INSTITUTE OF GENERAL AND INORGANIC CHEMISTRY   (Russian Federation)

^b RUSSIAN STATE SOCIAL UNIVERSITY   (Russian Federation)

^c PEOPLES FRIENDSHIP UNIVERSITY OF RUSSIA   (Russian Federation)

Author keywords

ferroelectric materials; quantum chemical modeling; squaric acid; structural phase transition

Indexed keywords

CRYSTALLINE STRUCTURE; FERROELECTRIC BEHAVIOR; HAMILTONIAN PARAMETERS; ISING-TYPE MODELS; LOWEST ENERGY LEVEL; MEAN FIELD APPROXIMATION; ORDER DISORDER PHASE TRANSITIONS; PSEUDOSPIN; QUANTUM-CHEMICAL MODELING; SQUARIC ACIDS; STRUCTURAL PHASE TRANSITION;

ANTIFERROELECTRIC MATERIALS; FERROELECTRICITY; HAMILTONIANS; PHASE TRANSITIONS; QUANTUM CHEMISTRY;

FERROELECTRIC MATERIALS;

EID: 79955849151     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22743     Document Type: Article

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