Abstract
In the present work, we consider systematically the electronic and optical properties of two-dimensional monolayer germanium monosulfide (GeS) under uniaxial strains along armchair (AC-strain) and zigzag (ZZ-strain) directions. Our calculations show that, at the equilibrium state, the monolayer GeS is a semiconductor with an indirect band gap of 1.82 eV. While monolayer GeS is still an indirect band gap semiconductor under ZZ-strain, an indirect–direct energy gap transition can be found in the monolayer GeS when the AC-strain is applied. The optical spectra of the monolayer GeS have strong anisotropy in the investigated energy range from 0 eV to 8 eV. Based on optical properties, we believe that the monolayer GeS is a potential candidate for applications in energy conversion and optoelectronic technologies.
Similar content being viewed by others
References
V. Sukhovatkin, S. Hinds, L. Brzozowski, and E.H. Sargent, Science 324(5934), 1542 (2009)
L. Xu, M. Yang, S.J. Wang, and Y.P. Feng, Phys. Rev. B 95, 235434 (2017)
L.D. Zhao, S.H. Lo, Y. Zhang, H. Sun, G. Tan, C. Uher, C. Wolverton, V.P. Dravid, and M.G. Kanatzidis, Nature 508, 373 (2014)
L.C. Gomes, A. Carvalho, and A.H. Castro Neto, Phys. Rev. B 94, 054103 (2016)
S. Demirci, N. Avazli, E. Durgun, and S. Cahangirov, Phys. Rev. B 95, 115409 (2017)
S.Z. Karazhanov, P. Ravindran, A. Kjekshus, H. Fjellvag, and B.G. Svensson, Phys. Rev. B 75, 155104 (2007)
L. Huang, F. Wu, and J. Li, J. Chem. Phys. 144, 114708 (2016)
A.M. Cook, B.M. Fregoso, F. de Juan, S. Coh, and J.E. Moore, Nat. Commun. 8, 14176 (2017)
K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, and A.A. Firsov, Science 306, 666 (2004)
F. Li, X. Liu, Y. Wang, and Y. Li, J. Mater. Chem. C 4, 2155 (2016)
T. Yabumoto, J. Phys. Soc. Jpn. 13, 559 (1958)
A.K. Singh and R.G. Hennig, Appl. Phys. Lett. 105, 042103 (2014)
D.D. Vaughn, R.J. Patel, M.A. Hickner, and R.E. Schaak, J. Am. Chem. Soc. 132, 15170 (2010)
C. Li, L. Huang, G.P. Snigdha, Y. Yu, and L. Cao, ACS Nano 6, 8868 (2012)
B. Mukherjee, Y. Cai, H.R. Tan, Y.P. Feng, E.S. Tok, and C.H. Sow, ACS Appl. Mater. Interfaces 5, 9594 (2013)
C. Chowdhury, S. Karmakar, and A. Datta, J. Phys. Chem. C 121, 7615 (2017)
H. Wang and X. Qian, 2D Mater. 4, 015042 (2017)
L.C. Gomes, A. Carvalho, and A.H. Castro Neto, Phys. Rev. B 92, 214103 (2015)
L. Makinistian and E.A. Albanesi, Phys. Rev. B 74, 045206 (2006)
S. Zhang, N. Wang, S. Liu, S. Huang, W. Zhou, B. Cai, M. Xie, Q. Yang, X. Chen, and H. Zeng, Nanotechnology 27, 274001 (2016)
G. Guo and G. Bi, Micro Nano Lett. 13, 600 (2018)
K.D. Pham, C.V. Nguyen, H.V. Phuc, T.V. Vu, N.V. Hieu, B.D. Hoi, L.C. Nhan, V.Q. Nha, and N.N. Hieu, Superlattices Microstruct. 120, 501 (2018)
D. Tan, H.E. Lim, F. Wang, N.B. Mohamed, S. Mouri, W. Zhang, Y. Miyauchi, M. Ohfuchi, and K. Matsuda, Nano Res. 10, 546 (2017)
P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A.D. Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, and R.M. Wentzcovitch, J. Phys.: Condens. Matter 21, 395502 (2009)
J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77(18), 3865 (1996)
J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 78, 1396 (1997)
V.V. Ilyasov, C.V. Nguyen, I.V. Ershov, and N.N. Hieu, J. Appl. Phys. 117, 174309 (2015)
C.V. Nguyen, N.N. Hieu, and V.V. Ilyasov, J. Electron. Mater. 45, 4038 (2016)
H.V. Phuc, N.N. Hieu, B.D. Hoi, L.T.T. Phuong, N.V. Hieu, and C.V. Nguyen, Superlattices Microstruct. 112, 554 (2017)
H.V. Phuc, N.N. Hieu, B.D. Hoi, L.T.T. Phuong, and C.V. Nguyen, Surf. Sci. 668, 23 (2018)
A. Delin, P. Ravindran, O. Eriksson, and J. Wills, Int. J. Quantum Chem. 69, 349 (1998)
P. Ravindran, A. Delin, B. Johansson, O. Eriksson, and J.M. Wills, Phys. Rev. B 59, 1776 (1999)
M. Elahi, K. Khaliji, S.M. Tabatabaei, M. Pourfath, and R. Asgari, Phys. Rev. B 91, 115412 (2015)
L.C. Gomes, A. Carvalho, and A.C. Neto, Phys. Rev. B 92, 214103 (2015)
Acknowledgments
This research is funded by the Vietnam National Foundation for Science and Technology Development (NAFOSTED) under Grant Number 103.01-2017.309 and the Belarusian Scientific Program “Convergence”.
Author information
Authors and Affiliations
Corresponding authors
Ethics declarations
Conflict of interest
The authors declare that they have no conflict of interest.
Additional information
Publisher's Note
Springer Nature remains neutral withregard to jurisdictional claims in published maps and institutionalaffiliations.
Rights and permissions
About this article
Cite this article
Le, P.T.T., Nguyen, C.V., Thuan, D.V. et al. Strain-Tunable Electronic and Optical Properties of Monolayer Germanium Monosulfide: Ab-Initio Study. J. Electron. Mater. 48, 2902–2909 (2019). https://doi.org/10.1007/s11664-019-06980-7
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11664-019-06980-7