[
1. Rohskopf, A., Seyf, H.R., Gordiz, K., Tadano, T., & Henry, A. (2017). Empirical Interatomic Potentials Optimized for Phon Properties. Computational Materials, 3, 1–7.10.1038/s41524-017-0026-y
]Search in Google Scholar
[
2. Choopun, S., Vispute, R.D., Yang, W., Sharma, R.P., Venkatesan, T., & Shen, H. (2002). Realization of Band Gap above 5.0 eV in Metastable Cubic-Phase MgxZn1-xO Allow Films. Appl. Phys. Lett., 80, 1529.10.1063/1.1456266
]Search in Google Scholar
[
3. Hu, Y., Cai, B., Hu, Z., & Liu, Y. (2015). The Impact of Mg Content On the Structural, Electrical and Optical Properties of MgZno Alloys: A First Principles Study. Current Applied Physics, 15 (3), 423–428.10.1016/j.cap.2015.01.015
]Search in Google Scholar
[
4. Maznichenko, I., Ernst, A., Bouhassoune, M., & Henk, J. (2009). Structural Phase Transitions and Fundamental Band Gaps of MgxZn1-xO Alloys from First Principles. Physical Review B, 80, 144101.10.1103/PhysRevB.80.144101
]Search in Google Scholar
[
5. Schleife, A., Eisenacher, M., Rödl, C., Fuchs, F., Furthmüller, J., & Bechstedt, F. (2010). Ab Initio Description of Heterostructural Alloys: Thermodynamic and Structural Properties of MgxZn1-xO and CdxZn1-xO. Phys. Rev. B, 81, 245210.
]Search in Google Scholar
[
6. Yang, J.-L., Liu, K.-W., & Shen, D.-Z. (2017). Recent Progress of ZnMgO Ultraviolet Detector. Chin. Phys. B, 26 (4), 047308.10.1088/1674-1056/26/4/047308
]Search in Google Scholar
[
7. Jain, A., Ong, S.P., Hautier, G., Chen, W., Richards, W.D., Dacek, S., … & Persson, K.A. (2013). The Materials Project: A Materials Genome Approach to Accelerating Materials Innovation. APL Materials, 1, 011002.10.1063/1.4812323
]Search in Google Scholar
[
8. Hahn, T. (2016). International Tables for Crystallography. Volume A. Springer.
]Search in Google Scholar
[
9. Tian, F., Duan, D., Li, D., Chen, C., Sha, X., Zhao, Z., … & Cui, T. (2014). Miscibility and Ordered Structures of MgO-ZnO Alloys under High Pressure. Sci. Rep., 4, 5759.10.1038/srep05759
]Search in Google Scholar
[
10. LAAMPS Tube. (n.d.). Buckingham Potential. Available at http://lammpstube.com/2020/02/10/buckingham-potential/
]Search in Google Scholar
[
11. Chapters 8 & 9 on Potential Functions. Available at http://www.courses.physics.helsinki.fi/fys/moldyn/lectures/L4.pdf
]Search in Google Scholar
[
12. CRYSTAL. (n.d.). Crystal17. Available at https://www.crystal.unito.it/index.php
]Search in Google Scholar
[
13. Dovesi, R., Erba, A., Orlando, R., Zicovich-Wilson, C., Covalleri, B., Maschio, L., … & Kirtman, B.. (2018). Quantum-Mechanical Condensed Matter Simulations with CRYSTAL. Wiley Interdisciplinary Reviews: Computational Molecular Science, 8 (39). doi :10.1002/wcms.1360.10.1002/wcms.1360
]Search in Google Scholar
[
14. Curtin University. (n.d.). GULP. Available at http://gulp.curtin.edu.au/gulp/
]Search in Google Scholar
[
15. Gale, J.D. (1997). GULP – A Computer Program for the Symmetry Adapted Simulation of Solids. JCS Faraday Trans., 93, 629.10.1039/a606455h
]Search in Google Scholar
[
16. CRYSTAL. (n.d.). CRYSTAL Basis Sets. Available at https://www.crystal.unito.it/basis-sets.php
]Search in Google Scholar
[
17. Lewis, G.V., & Catlow, C.R.A. (1985). Potential Models for Ionic Oxides. Journal of Physics C: Solid State Physics, 18 (6), 1149–1161.10.1088/0022-3719/18/6/010
]Search in Google Scholar
[
18. Binks, D.J. (1994). Computational Modelling of Zinc Oxide and Related Oxide Ceramics. Doctoral Thesis. University of Surrey, Surrey.
]Search in Google Scholar
[
19. Al-Qasir, I., Jisrawi, N., Gillette, V., & Qteish. A.H. (2015). Thermal Neutron Scattering Cross Sections of Beryllium and Magnesium Oxides. Annals of Nuclear Energy, 87, 242. doi:10.1016/j. anucene.2015.09.00610.1016/j.anucene.2015.09.006
]Search in Google Scholar
[
20. Mankad, V., Gupta, S.K., & Jha, P.K. (2016). Thermodynamic Properties of Zinc Oxide [001] Nanowires via First Principles Calculations. Adv. Mater. Lett.,7 (3), 100. doi: 10.5185/amlett.2016.614710.5185/amlett.2016.6147
]Search in Google Scholar