Effect of Point Defects on Electronic Structure of Monolayer GeS
Abstract
:1. Introduction
2. Calculation Method
3. Results and Discussion
3.1. Crystal Structure and Energetics
3.2. Electronic Properties
3.3. Piezoelectric Properties
4. Conclusions
Supplementary Materials
Author Contributions
Funding
Conflicts of Interest
References
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Pristine GeS | Pristine GeS DFT [75]/Exp [76,77] | ||||||||
---|---|---|---|---|---|---|---|---|---|
(eV) | 1.76 | 0.04 | 1.04 | 1.26 | 1.60 | 1.71 | 1.71 | 1.63 | 1.65/1.65, 1.70–1.96 |
Pristine GeS | Pristine GeS [33]/[34] | ||||||
---|---|---|---|---|---|---|---|
13.28 | 11.01 | 11.84 | 14.15 | 13.95 | 15.24/20.87 | 129.94/130 [53] | |
44.28 | 42.74 | 43.76 | 48.87 | 49.16 | 45.83/53.40 | 130.57/130 [53] | |
18.71 | 12.13 | 16.11 | 19.09 | 19.26 | 21.62/22.22 | 32.03/32 [53] |
Pristine GeS | Pristine GeS [33]/[34] | ||||||
---|---|---|---|---|---|---|---|
5.84 | 7.92 | 5.72 | 5.94 | 5.83 | 7.28/4.6 | 3.66/3.64 [53] | |
−4.59 | −8.29 | −3.67 | −4.36 | −4.51 | −4.97/−10.1 | −3.67/−3.64 [53] |
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Choi, H.-K.; Cha, J.; Choi, C.-G.; Kim, J.; Hong, S. Effect of Point Defects on Electronic Structure of Monolayer GeS. Nanomaterials 2021, 11, 2960. https://doi.org/10.3390/nano11112960
Choi H-K, Cha J, Choi C-G, Kim J, Hong S. Effect of Point Defects on Electronic Structure of Monolayer GeS. Nanomaterials. 2021; 11(11):2960. https://doi.org/10.3390/nano11112960
Chicago/Turabian StyleChoi, Hyeong-Kyu, Janghwan Cha, Chang-Gyu Choi, Junghwan Kim, and Suklyun Hong. 2021. "Effect of Point Defects on Electronic Structure of Monolayer GeS" Nanomaterials 11, no. 11: 2960. https://doi.org/10.3390/nano11112960