2D Hexagonal SnTe monolayer: a quasi direct band gap semiconductor with strain sensitive electronic and optical properti
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THE EUROPEAN PHYSICAL JOURNAL B
Regular Article
2D Hexagonal SnTe monolayer: a quasi direct band gap semiconductor with strain sensitive electronic and optical properties Negin Fatahi 1 , D.M. Hoat 2,3,a , Amel Laref 4 , Shorin Amirian 1 , A.H. Reshak 5,6,7 , and Mosayeb Naseri 1 1 2
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Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran Computational Laboratory for Advanced Materials and Structures, Advanced Institute of Materials Science, Ton Duc Thang University, Ho Chi Minh City, Vietnam Faculty of Applied Sciences, Ton Duc Thang University, Ho Chi Minh City, Vietnam Department, College of Science, King Saud University, Riyadh, Saudi Arabia Physics Department, College of Science, Basrah University, Basrah, Iraq Nanotechnology and Catalysis Research Center (NANOCAT), University of Malaya, Kuala Lumpur 50603, Malaysia Department of Instrumentation and Control Engineering, Faculty of Mechanical Engineering, CTU in Prague, Technicka 4, Prague 6 166 07, Czech Republic Received 9 November 2019 / Received in final form 7 January 2020 Published online 18 February 2020 c EDP Sciences / Societ`
a Italiana di Fisica / Springer-Verlag GmbH Germany, part of Springer Nature, 2020 Abstract. The stability and electronic and optical properties of two-dimensional (2D) SnTe monolayer has been systematically studied by using first-principles calculations based on density functional theory. Our computations demonstrate that the predicted 2D SnTe monolayer is a stable quasi-direct semiconductor. Also, analysis of its electronic property shows that the ground state of this monolayer is a quasi-direct semiconductor with a band gap of ∼2.00. This band gap can be effectively modulated by external strains. Investigation of optical properties shows that monolayer SnTe exhibits significant absorption and reflectivity in the ultraviolet region of the electromagnetic spectrum.
1 Introduction It is well-known that low-dimensional materials show rich physical and chemical properties as compared with their bulk (3D) counterpart [1,2]. Graphene is a twodimensional (2D) allotrope of carbon with high density and an unusual combination of properties, such as high mechanical strength, hardness, and conductivity and adjustable electrical and superior optical and superficial properties. Graphene was discovered in 2004 [3], and, after this discovery, 2D monolayer materials were considered significant in the design of new optoelectronic devices [4–12]. In recent years, a variety of graphene-like materials such as phosphorene, silicene, germanium, arsenene, antimonene, and bismuthene have been fabricated and studied [13–20] and several excellent 2D nanostructures have been predicted theoretically and synthesized experimentally [20–33]. In this work, based on density functional theory (DFT) and using a first-principles calculation in this framework, we surveyed 2D nanoscale structure SnTe. DFT calculations have been widely employed to calculate and a
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predict materials propertie
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