First principles study on lattice vibration and electrical properties of layered perovskite Sr2 M 2O7 (M = Nb, Ta)

2018 ◽  
Vol 27 (8) ◽  
pp. 086104
Author(s):  
Xing Liu ◽  
Hui-Qing Fan
Keyword(s):  
Electrical Properties ◽  
First Principles ◽  
Lattice Vibration ◽  
Layered Perovskite ◽  
First Principles Study

scholarly journals The electrical properties and modulation of g-C3N4/β-As and g-C3N4/β-Sb heterostructures: a first principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (66) ◽  
pp. 38724-38729
Author(s):  
Bo Liang ◽  
Yongchao Rao ◽  
Xiangmei Duan
Keyword(s):  
Density Functional Theory ◽  
Electrical Properties ◽  
Electronic Properties ◽  
First Principles ◽  
Density Functional ◽  
Functional Theory ◽  
First Principles Study

The electronic properties of the g-C3N4/β-As and g-C3N4/β-Sb heterojunctions are investigated via density functional theory.

Topological ferroelectricity in layered perovskite LaTaO4: A first principles study

2016 ◽  
Vol 247 ◽  
pp. 31-35 ◽  
Author(s):  
Xiao Qiang Liu ◽  
Gui Jing Li ◽  
Xiang Ming Chen
Keyword(s):  
First Principles ◽  
Layered Perovskite ◽  
First Principles Study

Layered Perovskite Sr2Ta2O7 for Visible Light Photocatalysis: A First Principles Study

2013 ◽  
Vol 117 (10) ◽  
pp. 5043-5050 ◽  
Author(s):  
Peng Liu ◽  
Jawad Nisar ◽  
Rajeev Ahuja ◽  
Biswarup Pathak
Keyword(s):  
Visible Light ◽  
First Principles ◽  
Layered Perovskite ◽  
Visible Light Photocatalysis ◽  
First Principles Study
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