Title of article :
Vibronic model for antiferroelectric phase transition in squaric acid, H2C4O4
Author/Authors :
Gabuda، نويسنده , , S.P. and Kozlova، نويسنده , , S.G. and Dalal، نويسنده , , N.S.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2004
Abstract :
The antiferroelectric phase transition in H2C4O4 crystals is analyzed using the neutron diffraction and high resolution 13C, 17O NMR data, Hartree–Fock, Moller–Plesset and DFT calculations. Is shown that AFE phase transition is of mixed order–disorder and of displacive type represented within of the unified vibronic interaction model.
Keywords :
C. Crystal structure and symmetry , D. Phase transitions , A. Ferroelectrics
Journal title :
Solid State Communications
Journal title :
Solid State Communications
