Electronic,dielectric and mechanical properties of MoS2/SiC hybrid bilayer: A first principle study |
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| Institution: | 1. Physics Department, Himachal Pradesh University, Shimla 171005, India;2. Physics Department, Panjab University, Chandigarh 160014, India;1. Laboratoire d''Etude des Matériaux Avancés et Applications (LEM2A), Université Moulay Ismaïl, FSM-FPE-ESTM, BP 11201 Zitoune, Meknes, Morocco;2. Laboratoire Charles Coulomb (L2C), UMR 5221 CNRS-Université de Montpellier, Montpellier F-34095, France;1. School of Civil Engineering, Shandong University, Jinan 250061, China;2. State Key Laboratory for Strength and Vibration of Mechanical Structures, School of Aerospace, Xi’an Jiaotong University, Xi’an 710049, China;3. School of Mechanical Engineering, Shandong University, Jinan 250061, China;1. School of Physics, Madurai Kamaraj University, Madurai 625021, Tamil Nadu, India;2. Department of Physics and Nanotechnology, SRM University, Chennai 603203, Tamil Nadu, India;1. Department of Physics, University of Guilan, Rasht, Iran;2. Institute of Theoretical Physics and Astronomy, Vilnius University, A. Gostauto 12, LT-01108 Vilnius, Lithuania;1. Photonics-Electronics Group, Aras International Campus, University of Tabriz, Tabriz, Iran;2. Photonics-Electronics Group, Research Institute for Applied Physics and Astronomy, University of Tabriz, Tabriz 51665-163, Iran;3. School of Electrical, Electronic and Computer Engineering, The University of Western Australia, Crawley, WA 6009, Australia |
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| Abstract: | The electronic, mechanical and dielectric properties of lateral MoS2/SiC heterobilayer are investigated using first principles calculations. Among various stacking conformations, the energetically favorable stackings namely AA2 and AB′1 have been considered in the present study. The band gap of the heterobilayer shows reduction as compared to constituent monolayers which also remains stacking dependent. The electronic band-gap is further tunable by applying mechanical strain and perpendicular electric field that rendered heterostructures from semiconductor to metal at critical value of applied strain/field. The stacking of heterobilayer strongly influence its mechanical properties e.g. ultimate tensile strength of considered two favorable stacking differ by more than 50%; the ultimate tensile strain of 17% and 21% respectively has been calculated for two different stackings. The static dielectric constant also shows tunability on heterostructuring the constituent monolayers as well as applying strain and field. These tunable properties of MoS2/SiC may be useful for the device applications at nanoscale. |
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| Keywords: | Electronic properties Dielectric properties |
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