Pressure effect on the properties of magnetic moments and phase transitions in YMnO3 from first principles

RSC Advances ◽  
2016 ◽  
Vol 6 (59) ◽  
pp. 54041-54048 ◽  
Author(s):  
Jun-Shuai Chai ◽  
Hao Tian ◽  
Ai-Jie Mao ◽  
Li-Juan Deng ◽  
Xiao-Yu Kuang

We report the properties of magnetic, electronic, phonon frequencies and magnetic phase transitions in orthorhombic perovskite YMnO3 by means of first-principles calculations.

RSC Advances ◽  
2016 ◽  
Vol 6 (32) ◽  
pp. 27136-27142 ◽  
Author(s):  
Xurui Li ◽  
Junyong Wang ◽  
Jinzhong Zhang ◽  
Yawei Li ◽  
Zhigao Hu ◽  
...  

The temperature-dependent phonon spectra and magnetoresistance of CuCr1−xMgxO2 films have been studied, combined with first-principles calculations.


2013 ◽  
Vol 06 (03) ◽  
pp. 1350026 ◽  
Author(s):  
HONG-JIAN FENG ◽  
XIAOYUN HU ◽  
HUIJUAN CHEN

First-principles calculations on BiFeO3 under low-pressure region show that the rhombohedral-monoclinic and rhombohedral-orthorhombic phase transitions can be found around the critical pressure value, ~9 GPa.We suggest that the structure involve the combination of these three phases and change to the pure orthorhombic phase gradually as pressure is beyond the critical value. Moreover, it is a first-order structural phase transition, accompanied with antiferromagnetic–ferromagnetic transition.


1997 ◽  
Vol 237-238 ◽  
pp. 527-529 ◽  
Author(s):  
J Kamarád ◽  
Z Arnold ◽  
O Mikulina ◽  
V Sechovský ◽  
H Ido ◽  
...  

2018 ◽  
Vol 741 ◽  
pp. 449-453 ◽  
Author(s):  
R. Duraj ◽  
A. Szytuła ◽  
T. Jaworska-Gołąb ◽  
A. Deptuch ◽  
Yu. Tyvanchuk ◽  
...  

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