A density functional theory study of the tunable structure, magnetism and metal-insulator phase transition in VS2 monolayers induced by in-plane biaxial strain

Nano Research ◽  
2014 ◽  
Vol 8 (4) ◽  
pp. 1348-1356 ◽  
Author(s):  
Min Kan ◽  
Bo Wang ◽  
Young Hee Lee ◽  
Qiang Sun
Keyword(s):  
Phase Transition ◽  
Density Functional Theory ◽  
Density Functional ◽  
Biaxial Strain ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Metal Insulator ◽  
Insulator Phase Transition ◽  
Tunable Structure

Magnetostructural phase transition assisted by temperature in Ag–αMnO2: a density functional theory study

2016 ◽  
Vol 18 (10) ◽  
pp. 7442-7448 ◽  
Author(s):  
Francisco Sánchez Ochoa ◽  
Zhiwei Huang ◽  
Xingfu Tang ◽  
Gregorio Hernández Cocoletzi ◽  
Michael Springborg
Keyword(s):  
Phase Transition ◽  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory

The modulation of metal–insulator transition temperature of vanadium dioxide: a density functional theory study

2014 ◽  
Vol 2 (43) ◽  
pp. 9283-9293 ◽  
Author(s):  
Chao Sun ◽  
Liuming Yan ◽  
Baohua Yue ◽  
Huiting Liu ◽  
Yanfeng Gao
Keyword(s):  
Density Functional Theory ◽  
Vanadium Dioxide ◽  
Density Functional ◽  
Lattice Distortion ◽  
Insulator Transition ◽  
Density Functional Theory Study ◽  
Metal Insulator Transition ◽  
Functional Theory ◽  
Metal Insulator ◽  
Metal Doped

Metal–insulator transition characteristics of transition metal-doped VO2 were associated with the lattice distortion based on ab initio calculations.

Density-functional theory study of the pressure-induced phase transition in hydronitrogen compound N4H4

2014 ◽  
Vol 378 (18-19) ◽  
pp. 1333-1335 ◽  
Author(s):  
Qi-Jun Liu ◽  
Ning-Chao Zhang ◽  
Yan-Yun Sun ◽  
Ming-Jian Zhang ◽  
Fu-Sheng Liu ◽  
...  
Keyword(s):  
Phase Transition ◽  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory
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