Abstract
Using methods of the density functional theory, the electronic band structure of a hexagonal modification of the layered GaTe semiconductor has been calculated. The structural parameters of a bulk crystal with the β-polytype symmetry have been determined taking into account van der Waals interactions and agree with experimental data for polycrystalline films within 2%. Estimates for the position of extrema of the upper valence band and the lower conduction band have been obtained with respect to the vacuum level for bulk β-GaTe and for ultrathin plates with the number of elementary layers ranging from 1 to 10, which corresponds to a thickness range of 0.5–8 nm. The calculations demonstrate that hexagonal GaTe is an indirect band gap semiconductor with a forbidden band width varying from 0.8 eV in the bulk material to 2.3 eV in the monolayer.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
J. F. Sánchez-Royo, A. Segura, and V. Muñoz, Phys. Status Solidi A 151, 257 (1995).
B. G. Tagiev and O. B. Tagiev, Phys. Solid State 59, 1080 (2017).
V. N. Brudnyi, S. Yu. Sarkisov, and A. V. Kosobutsky, Semicond. Sci. Technol. 30, 115019 (2015).
A. V. Kosobutsky, S. Yu. Sarkisov, and V. N. Brudnyi, J. Phys. Chem. Solids 74, 1240 (2013).
P. Hu, J. Zhang, M. Yoon, X.-F. Qiao, X. Zhang, W. Feng, P. Tan, W. Zheng, J. Liu, X. Wang, J. C. Idrobo, D. B. Geohegan, and K. Xiao, Nano Res. 7, 694 (2014).
F. Wang, Z. Wang, K. Xu, F. Wang, Q. Wang, Y. Huang, L. Yin, and J. He, Nano Lett. 15, 7558 (2015).
I. V. Antonova, Semiconductors 50, 66 (2016).
S. A. Semiletov and V. A. Vlasov, Sov. Phys. Crystallogr. 8, 704 (1964).
E. G. Gillan and A. R. Barron, Chem. Mater. 9, 3037 (1997).
N. N. Kolesnikov, E. B. Borisenko, D. N. Borisenko, and A. V. Timonina, J. Cryst. Growth 365, 59 (2013).
Q. Zhao, T. Wang, Y. Miao, F. Ma, Y. Xie, X. Ma, Y. Gu, J. Li, J. He, B. Chen, S. Xi, L. Xu, H. Zhen, Z. Yin, J. Li, J. Rena, and W. Jie, Phys. Chem. Chem. Phys. 18, 18719 (2016).
C. J. Bae, J. McMahon, H. Detz, G. Strasser, J. Park, E. Einarsson, and D. B. Eason, AIP Adv. 7, 035113 (2017).
H. L. Zhuang and R. G. Hennig, Chem. Mater. 25, 3232 (2013).
S. Y. Sarkisov, A. V. Kosobutsky, and S. D. Shandakov, J. Solid State Chem. 232, 67 (2015).
S. Yu. Sarkisov, A. V. Kosobutsky, V. N. Brudnyi, and Yu. N. Zhuravlev, Phys. Solid State 57, 1735 (2015).
P. Giannozzi, S. Baroni, and N. Bonini, J. Phys.: Condens. Matter 21, 395502 (2009).
D. A. Bandurin, A. V. Tyurnina, G. L. Yu, A. Mishchenko, V. Zólyomi, S. V. Morozov, R. K. Kumar, R. V. Gorbachev, Z. R. Kudrynskyi, S. Pezzini, Z. D. Kovalyuk, U. Zeitler, K. S. Novoselov, A. Patané, L. Eaves, I. V. Grigorieva, et al., Nat. Nanotechnol. 12, 223 (2017).
D. V. Rybkovskiy, A. V. Osadchy, and E. D. Obraztsova, Phys. Rev. B 90, 235302 (2014).
J. P. Perdew and M. Levy, Phys. Rev. Lett. 51, 1884 (1983).
Z. A. Jahangirli, F. M. Gashimzade, D. A. Guseinova, B. G. Mekhtiev, and N. B. Mustafaev, Phys. Solid State 58, 1764 (2016).
J. A. Olmos-Asar, C. R. Leão, and A. Fazzio, RSC Adv. 7, 32383 (2017).
J. J. Fonseca Vega, PhD Thesis (Univ. of California, Berkeley, 2017), p.53.
A. V. Kosobutsky and A. B. Gordienko, Phys. Solid State 57, 1972 (2015).
A. V. Kosobutsky and Yu. M. Basalaev, Solid State Commun. 199, 17 (2014).
Author information
Authors and Affiliations
Corresponding author
Additional information
Original Russian Text © A.V. Kosobutsky, S.Yu. Sarkisov, 2018, published in Fizika Tverdogo Tela, 2018, Vol. 60, No. 9, pp. 1645–1649.
Rights and permissions
About this article
Cite this article
Kosobutsky, A.V., Sarkisov, S.Y. Influence of Size Effects on the Electronic Structure of Hexagonal Gallium Telluride. Phys. Solid State 60, 1686–1690 (2018). https://doi.org/10.1134/S1063783418090172
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1063783418090172