Abstract
The structural, electronic, and optical properties of Be0.25Zn0.75O alloy as a function of the pressure have been investigated by using the first-principles density functional theory within the generalized gradient approximation. The results show that the lattice constants decrease and the band gap increases with increasing pressure. The valence band maximum (VBM) moves to lower energy, whereas the conduction band minimum (CBM) moves to higher energy with increasing pressure, so the band gap broadens. The dielectric constant \({{\varepsilon }_{1}}\)(0) and zero-frequency refractive index n(0) decreases monotonically with increasing pressure. The variation of imaginary part of the dielectric function, extinction coefficient, absorption coefficient, and electron energy loss function with different pressure are well described. The curve shape for optical parameters is almost unchanged with increasing pressure, but all the peaks moves to higher energy. Our results provide a theoretical reference for Be0.25Zn0.75O alloy at different pressures to achieve better ZnBeO performance in optoelectronic devices.
Similar content being viewed by others
REFERENCES
J. Sun, H. T. Wang, J. He, and Y. Tian, Phys. Rev. B 71, 125132 (2005).
X. F. Fan, Z. X. Shen, Y. M. Lu, and J.-L. Kuo, New J. Phys. 11, 093008 (2009).
U. Ozgur, Ya. I. Alivov, C. Liu, A. Teke, M. A. Reshchikov, S. Doğan, V. Avrutin, S.-J. Cho, and H. Morkoç, J. Appl. Phys. 98, 041301 (2005).
S. Benramache, S. Lakel, O. Belahssen, and B. Benhaoua, Optik 126, 2946 (2015).
Y. R. Ryu, T. S. Lee, J. A. Lubguban, A. B. Corman, H. W. White, J. H. Leem, M. S. Han, Y. S. Park, C. J. Youn, and W. J. Kim, Appl. Phys. Lett. 88, 052103 (2006).
W. J. Kim, J. H. Leem, M. S. Han, I.-W. Park, Y. R. Ryu, and T. S. Lee, J. Appl. Phys. 99, 096104 (2006).
T. Makino, Y. Segawa, M. Kawasaki, A. Ohtomo, R. Shiroki, K. Tamura, T. Yasuda, and H. Koinuma, Appl. Phys. Lett. 78, 1237 (2001).
Y. R. Ryu, J. A. Lubguban, T. S. Lee, H. W. White, T. S. Jeong, C. J. Youn, and B. J. Kim, Appl. Phys. Lett. 90, 131115 (2007).
X. F. Fan, Z. Zhu, Y. S. Ong, Y. M. Lu, Z. X. Shen, and J. L. Kuo, Appl. Phys. Lett. 91, 121121 (2007).
J. H. Yu, D. S. Park, J. H. Kim, T. S. Jeong, C. J. Youn, and K. J. Hong, J. Mater. Sci. 45, 130 (2010);
J. Cryst. Growth 312, 1683 (2010).
M. Nakano, A. Tsukazaki, A. Ohtomo, K. Ueno, S. Akasaka, H. Yuji, K. Nakahara, T. Fukumura, and M. Kawasaki, Adv. Mater. 22, 876 (2010).
D. C. Olson, S. E. Shaheen, M. S. White, W. J. Mitchell, M. F. A. M. van Hest, R. T. Collins, and D. S. Ginley, Adv. Funct. Mater. 17, 264 (2007).
A. Tsukazaki, S. Akasaka, K. Nakahara, Y. Ohno, H. Ohno, D. Maryenko, A. Ohtomo, and M. Kawasaki, Nat. Mater. 9, 889 (2010).
Y. Chen, P. Reyes, Z. Duan, G. Saraf, R. Wittstruck, Y. Lu, O. Taratula, and E. Galoppini, J. Electron. Mater. 38, 1605 (2009).
L. Weston, X. Y. Cui, B. Delley, and C. Stampfl, Phys. Rev. B 86, 205322 (2012).
S. Lakel, F. Elhamra, K. Almi, and H. Meradji, Mater. Sci. Semicond. Proc. 40, 209 (2015).
S. Lakel, F. Elhamra, K. Almi, and H. Meradji, Mater. Sci. Semicond. Proc. 40, 803 (2015).
F. Elhamra, S. Lakel, M. Ibrir, K. Almi, and H. Meradji, Mod. Phys. Lett. B 29, 24 (2015). https://doi.org/10.1142/S0217984915501407
S. F. Ding, G. H. Fan, S. T. Li, K. Chen, and B. Xiao, Phys. B (Amsterdam, Neth.) 394, 127 (2007).
J. E. Jaffe, J. A. Snyder, Z. Lin, and A. C. Hess, Phys. Rev. B 62, 1660 (2000).
M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter 14, 2717 (2002).
P. L. Mao, B. Yu, Z. Liu, F. Wang, and Y. Ju, J. Magn. Alloys 1, 256 (2013).
W. Kohn and L. Sham, Phys. Rev. A 140, 1133 (1965).
J. P. Perdew, K. Burke, and W. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
D. R. Hamann, M. Schluter, and C. Chiang, Phys. Rev. Lett. 43, 1494 (1979).
H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
B. G. Pfrommer, M. Coté, S. G. Louie, and M. L. Cohen, J. Comp. Physiol. 131, 133 (1997).
H. Y. Wu, X. L. Cheng, C. H. Hu, and P. Zhou, Phys. B (Amsterdam, Neth.) 405, 606 (2010).
C. Kittel, Introduction to Solid State Physics, 8th ed. (Wiley, Hoboken, NJ, 2005), p. xix.
X. Su, P. Si, Q. Hou, X. Kong, and W. Cheng, Phys. B (Amsterdam, Neth.) 404, 1794 (2009).
F.-G. Kuang, X.-Y. Kuang, S.-Y. Kang, M.-M. Zhong, and A.-J. Mao, Mater. Sci. Semicond. Process. 23, 63 (2014).
A. Schleife, F. Fuchs, J. Furthmu ller, and F. Bechstedt, Phys. Rev. B 73, 245212 (2006).
Y. Zheng, Z. Chen, Lu Yu, Q. Wu, Z. Weng, and Z. Huang, Chin. J. Semicond. 29, 2316 (2008).
K. Osuch, E. B. Lombardi, and W. Gebicki, Phys. Rev. B 73, 075202 (2006).
F. W. Xie, P. Yang, P. Li, and L. Q. Zhang, Opt. Commun. 285, 2660 (2012).
B. Lü, X. Zhou, R.-F. Linghu, X.-L. Wang, and X.‑D. Yang, Chin. Phys. B 20, 036104 (2011).
A. Schleife, C. Rödl, F. Fuchs, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 80, 035112 (2009).
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
The authors declare that they have no conflicts of interests.
Rights and permissions
About this article
Cite this article
Almi, K., Lakel, S. Pressure Dependence of Structural, Electronic, and Optical Properties of Be0.25Zn0.75O Alloy. Phys. Solid State 62, 260–266 (2020). https://doi.org/10.1134/S106378342002002X
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S106378342002002X