Electronic structure, defect formation energy, and photovoltaic properties of wurtzite-derived CuGaO2

2018 ◽  
Vol 123 (16) ◽  
pp. 161584 ◽  
Author(s):  
H. Okumura ◽  
K. Sato ◽  
T. Kakeshita
2015 ◽  
Vol 17 (25) ◽  
pp. 16536-16544 ◽  
Author(s):  
Chengxiao Peng ◽  
Yuanxu Wang ◽  
Zhenxiang Cheng ◽  
Guangbiao Zhang ◽  
Chao Wang ◽  
...  

Strain conditions have little effect on the defect formation energy of Zn and O vacancies in ZnO, but they do affect the magnetism significantly.


2015 ◽  
Author(s):  
M. A. Mehrabova ◽  
H. R. Nuriyev ◽  
H. S. Orujov ◽  
A. M. Nazarov ◽  
R. M. Sadigov ◽  
...  

1994 ◽  
Vol 369 ◽  
Author(s):  
Brenda J. Schuler ◽  
T. S. Aurora ◽  
D. O. Pederson ◽  
S. M. Day

AbstractLead fluoride is a superionic conductor with the fluorite structure. Results of the measurement of linear thermal expansion of lead fluoride (reported earlier in literature) showed a large increase in the thermal expansion coefficient near 700 K where the ionic conductivity has been shown to exhibit a sharp increase. It is believed that thermally-generated defects in a crystal lattice affect the thermal expansion coefficient. This idea was applied in the present analysis to calculate the defect formation energy (Ef) by using the literature values of the coefficient of thermal expansion. It was assumed that the thermal expansion in excess of that produced due to the lattice anharmonicity (δ∝) is proportional to the concentration of defects (n). With this assumption, one may write: δ∝ = c nº exp(-Ef/kT), where c is a constant. For lead fluoride, a plot of ln(δ∝) versus (l/T) yielded Ef = 0.56 eV which is lower than the literature values. The assumptions in this analysis and the discrepancy in the result are discussed.


2015 ◽  
Vol 119 (17) ◽  
pp. 9117-9124 ◽  
Author(s):  
Hiromasa Shiiba ◽  
Nobuyuki Zettsu ◽  
Masanobu Nakayama ◽  
Shuji Oishi ◽  
Katsuya Teshima

2014 ◽  
Vol 1 (3) ◽  
pp. 035501 ◽  
Author(s):  
Jianwei Wang ◽  
Rodney C Ewing ◽  
Udo Becker

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