Structure, Phase Transition, and Electronic Properties of K1−x Na x NbO3 Solid Solutions from First-Principles Theory

2014 ◽  
Vol 97 (12) ◽  
pp. 4019-4023 ◽  
Author(s):  
Shi-Yu Liu ◽  
Shiyang Liu ◽  
De-Jun Li ◽  
Yaogen Shen ◽  
Hongli Dang ◽  
...  
Keyword(s):  
Phase Transition ◽  
Electronic Properties ◽  
Solid Solutions ◽  
First Principles ◽  
Structure Phase ◽  
Structure Phase Transition

scholarly journals The mechanism of structure phase transition from α Fe to ε Fe under uniaxial strain: First-principles calculations

2010 ◽  
Vol 59 (6) ◽  
pp. 4303
Author(s):  
Lu Zhi-Peng ◽  
Zhu Wen-Jun ◽  
Lu Tie-Cheng ◽  
Liu Shao-Jun ◽  
Cui Xin-Lin ◽  
...  
Keyword(s):  
Phase Transition ◽  
First Principles ◽  
Uniaxial Strain ◽  
First Principles Calculations ◽  
Structure Phase ◽  
Structure Phase Transition

First-principles calculations of electrical properties, structure, and phase transition of K1−xNaxNbO3 solid solutions

2017 ◽  
Vol 19 (40) ◽  
pp. 27368-27373 ◽  
Author(s):  
Dong Yang ◽  
Qizhen Chai ◽  
Lingling Wei ◽  
Xiaolian Chao ◽  
Zupei Yang
Keyword(s):  
Phase Transition ◽  
Electrical Properties ◽  
Total Energy ◽  
Electronic Properties ◽  
Solid Solutions ◽  
First Principles ◽  
First Principles Calculations

The structure, total energy and orthorhombic as well as tetragonal electronic properties of K1−xNaxNbO3 (KNN) as a function of Na concentration were studied with first principles calculations.

Structure and local polar domains of Dy-modified BiFeO3–PbTiO3 multiferroic solid solutions

2015 ◽  
Vol 3 (48) ◽  
pp. 12450-12456 ◽  
Author(s):  
Jian Zhuang ◽  
Jingyan Zhao ◽  
Lun-Wei Su ◽  
Hua Wu ◽  
Alexei A. Bokov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Phase Diagram ◽  
Solid Solution ◽  
Solid Solutions ◽  
Room Temperature ◽  
Ferroelectric Phase ◽  
Phase Transition Behavior ◽  
Structure Phase ◽  
Structure Phase Transition

Based on the detailed investigations of the crystal structure, phase transition behavior and local polar domains, a ferroelectric phase diagram is established in this study for the room-temperature multiferroic Dy-modified BiFeO3–PbTiO3 solid solution.

Domain structure, phase transition and dielectric properties of ferroelastics of the NaFe(MoO4)2type

1978 ◽  
Vol 21 (1) ◽  
pp. 579-581 ◽  
Author(s):  
E. V. Sinyakov ◽  
E. F. Dudnik ◽  
T. M. Stolpakova ◽  
O. L. Orlov
Keyword(s):  
Phase Transition ◽  
Dielectric Properties ◽  
Domain Structure ◽  
Structure Phase ◽  
Structure Phase Transition
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