Tuning the Electronic and Optical Properties of Sc 2 CF 2 MXene Monolayer Using Biaxial Strain

作者: Alireza Mostafaei , Edris Faizabadi , Ebrahim Heydari Semiromi

DOI: 10.1007/S11664-020-08162-2

关键词:

摘要: … In this study, the optical properties and electronic structure of Sc2CF2 monolayer is investigated using density functional theory (DFT) calculations under compressive and tensile strain (…

参考文章(45)
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Hendrik J. Monkhorst, James D. Pack, Special points for Brillouin-zone integrations Physical Review B. ,vol. 13, pp. 5188- 5192 ,(1976) , 10.1103/PHYSREVB.13.5188
Robert Abt, Claudia Ambrosch-Draxl, Peter Knoll, Optical response of high temperature superconductors by full potential LAPW band structure calculations Physica B-condensed Matter. ,vol. 194, pp. 1451- 1452 ,(1994) , 10.1016/0921-4526(94)91225-4
Kostya S Novoselov, Andre K Geim, Sergei V Morozov, De-eng Jiang, Yanshui Zhang, Sergey V Dubonos, Irina V Grigorieva, Alexandr A Firsov, Electric Field Effect in Atomically Thin Carbon Films Science. ,vol. 306, pp. 666- 669 ,(2004) , 10.1126/SCIENCE.1102896
Mohammad Khazaei, Masao Arai, Taizo Sasaki, Chan-Yeup Chung, Natarajan S. Venkataramanan, Mehdi Estili, Yoshio Sakka, Yoshiyuki Kawazoe, Novel Electronic and Magnetic Properties of Two‐Dimensional Transition Metal Carbides and Nitrides Advanced Functional Materials. ,vol. 23, pp. 2185- 2192 ,(2013) , 10.1002/ADFM.201202502
Chunxiao Cong, Jingzhi Shang, Xing Wu, Bingchen Cao, Namphung Peimyoo, Caiyu Qiu, Litao Sun, Ting Yu, Synthesis and Optical Properties of Large-Area Single-Crystalline 2D Semiconductor WS2 Monolayer from Chemical Vapor Deposition Advanced Optical Materials. ,vol. 2, pp. 131- 136 ,(2014) , 10.1002/ADOM.201300428
Zhenzhen Qin, Sheng-Ying Yue, Guangzhao Qin, Qing-Bo Yan, Ming Hu, Gang Su, Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles Physical Chemistry Chemical Physics. ,vol. 17, pp. 4854- 4858 ,(2015) , 10.1039/C4CP04858J