Metal–insulator transition in RNiO3 (R = Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er) induced by Li doping: A first-principles study

2021 ◽  
Vol 129 (23) ◽  
pp. 235107
Author(s):  
Yuanyuan Cui ◽  
Xiao Liu ◽  
Wei Fan ◽  
Junsong Ren ◽  
Yanfeng Gao
Keyword(s):  
First Principles ◽  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Metal Insulator ◽  
Li Doping ◽  
First Principles Study

First-principles study of hydrogen ordering in lanthanum hydride and its effect on the metal-insulator transition

2012 ◽  
Vol 86 (1) ◽  
Author(s):  
Tobias C. Kerscher ◽  
Gunther Schöllhammer ◽  
Peter Herzig ◽  
Walter Wolf ◽  
Raimund Podloucky ◽  
...  
Keyword(s):  
First Principles ◽  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Metal Insulator ◽  
First Principles Study

First-principles study of pressure-induced metal-insulator transition in BiNiO3

2007 ◽  
Vol 91 (10) ◽  
pp. 101901 ◽  
Author(s):  
M. Q. Cai ◽  
G. W. Yang ◽  
X. Tan ◽  
Y. L. Cao ◽  
L. L. Wang ◽  
...  
Keyword(s):  
First Principles ◽  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Metal Insulator ◽  
First Principles Study

Orbital change manipulation metal–insulator transition temperature in W-doped VO2

2015 ◽  
Vol 17 (17) ◽  
pp. 11638-11646 ◽  
Author(s):  
Xinfeng He ◽  
Yijie Zeng ◽  
Xiaofeng Xu ◽  
Congcong Gu ◽  
Fei Chen ◽  
...  
Keyword(s):  
Phase Transition ◽  
Infrared Spectroscopy ◽  
Transition Temperature ◽  
Phase Transition Temperature ◽  
First Principles ◽  
Insulator Transition ◽  
First Principles Calculations ◽  
Orbital Structure ◽  
Metal Insulator Transition ◽  
Metal Insulator

Using ultraviolet-infrared spectroscopy and first principles calculations, it is revealed that changes in the orbital structure can regulate the W-doped VO2 phase transition temperature.

Strain control of orbital polarization and correlated metal-insulator transition in La2CoMnO6 from first principles

2011 ◽  
Vol 99 (20) ◽  
pp. 202110 ◽  
Author(s):  
Shuhui Lv ◽  
Hongping Li ◽  
Zhongchang Wang ◽  
Lin Han ◽  
Yao Liu ◽  
...  
Keyword(s):  
First Principles ◽  
Insulator Transition ◽  
Metal Insulator Transition ◽  
Strain Control ◽  
Metal Insulator
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