Phonon anharmonic investigation on the different structural phase transition processes of cubic KNbO3 and KTaO3

Phonon anharmonic investigation on the different structural phase transition processes of cubic KNbO3 and KTaO3

KTaO3 and KNbO3, two typical perovskite ferroelectric crystal materials with identical cubic structure at high temperature, undergoes totally different phase transition path. The underlying mechanism is explored by comparing their phonon anharmonic behavior based on first-principle calculation. The...

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Bibliographic Details
Main Authors: Yangbin Fu, Lei Wei, Huadi Zhang, Xuping Wang, Bing Liu, Yuanyuan Zhang, Xianshun Lv, Jixue Zhou, Huajian Yu, Yanyan Hu, Jueru Li
Format: Article
Language:English
Published: Elsevier 2020-12-01
Series:Results in Physics
Subjects:
Phase transition
Phonon relaxation
Grüneisen parameter
Phonon anharmonicity
ELF
Soft mode
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379720320313

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