scholarly journals Ab-initio investigation of electronic structures of α-BiFeO3 with different exchange-correlation functionals

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Keyword(s):  
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Crystal and electronic structures of superhard B2CN : An ab initio study

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Dan Zhou ◽  
Hui Wang ◽  
Wanjin Chen ◽  
Baojia Wu ◽  
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Magnetism and electronic structures for B-doped bulk and surface AlN: Ab initio calculations

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Wei-Bin Li ◽  
Xiao-Ning Huang ◽  
Zong-Bao Li ◽  
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Keyword(s):  
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Ab initio calculations on the electronic structures and electrochemical properties of LiVO2 and NaVO2

2020 ◽  
Vol 288 ◽  
pp. 121383
Author(s):  
Lei Wu ◽  
Xin-Rui Cao ◽  
Shun-Qing Wu ◽  
Yong Yang ◽  
Zi-Zhong Zhu
Keyword(s):  
Ab Initio Calculations ◽  
Electrochemical Properties ◽  
Ab Initio ◽  
Electronic Structures
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