coherent potential approximation
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scholarly journals Mechanical properties of CrFeCoNiCux (0 ≤ x ≤ 0.3) HEAs from first-principles calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (68) ◽  
pp. 41324-41331
Author(s):  
Yu Liu ◽  
Zhipeng Wang ◽  
Hui Xiao ◽  
Gang Chen ◽  
Touwen Fan ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
First Principles ◽  
Coherent Potential Approximation ◽  
Approximation Methods ◽  
First Principles Calculations ◽  
Potential Approximation ◽  
Cu Content

Frist-principles calculations combined with exact muffin-tin orbitals and coherent potential approximation methods is conducted to investigate the effects of Cu content on mechanical properties of CrFeCoNiCux (0 ≤ x ≤ 0.3) HEAs.

Effect of proton uptake on the structure of energy levels in the band-gap of Sr-doped LaScO3: diffuse reflectance spectroscopy and coherent potential approximation calculations

2019 ◽  
Vol 21 (15) ◽  
pp. 7989-7995 ◽  
Author(s):  
Maxim I. Vlasov ◽  
Veronika M. Zainullina ◽  
Michael A. Korotin ◽  
Andrei S. Farlenkov ◽  
Maxim V. Ananyev
Keyword(s):  
Optical Properties ◽  
Band Gap ◽  
Diffuse Reflectance ◽  
Diffuse Reflectance Spectroscopy ◽  
Energy Levels ◽  
Reflectance Spectroscopy ◽  
Coherent Potential Approximation ◽  
Acceptor Doping ◽  
Potential Approximation ◽  
Proton Uptake

The obtained results explain features of LaScO3 optical properties and the effect of acceptor doping and H2 and H2O uptake on them.

Plasmon-Polaritons in Island Metal Films: A Solution in the Framework of the Coherent Potential Approximation

2018 ◽  
Vol 85 (2) ◽  
pp. 355-360
Author(s):  
V. V. Маksimenko ◽  
V. А. Zagaynov ◽  
P. N. Semina ◽  
А. V. Zheltova ◽  
Е. V. Маslenkova ◽  
...  
Keyword(s):  
Metal Films ◽  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
Plasmon Polaritons

Phase transitions in the Haldane-Hubbard model within coherent potential approximation

2018 ◽  
Vol 532 ◽  
pp. 139-143 ◽  
Author(s):  
Duc-Anh Le ◽  
Minh-Tien Tran ◽  
Thi-Thanh-Mai Tran ◽  
Thi-Thao Nguyen ◽  
Thi-Huong Nguyen ◽  
...  
Keyword(s):  
Phase Transitions ◽  
Hubbard Model ◽  
Coherent Potential Approximation ◽  
Potential Approximation

The band gap energy of BexMgyZn1−x−yO calculated by modified simplified coherent potential approximation

2018 ◽  
Vol 113 ◽  
pp. 255-260 ◽  
Author(s):  
Chuan-Zhen Zhao ◽  
Si-Yu Sun ◽  
Xiao-Dong Sun ◽  
Sha-Sha Wang ◽  
Jun Wang
Keyword(s):  
Band Gap ◽  
Band Gap Energy ◽  
Coherent Potential Approximation ◽  
Potential Approximation ◽  
Gap Energy
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