Faculty of Physics, Kharazmi University, 31979-37551, Tehran, Iran.
We have investigated the electronic and optical properties of AlN hexagonal nanosheets under different kinds of strains, using the band structure results obtained through the full potential linearized augmented plane wave method within the density functional theory. The results show that 10% uniaxial strain along the zig-zag direction induces an indirect to direct band-gap transition. The dielectric tensor and corresponding optical properties are derived within the random phase approximation. Specifically, the dielectric function, reflectivity and refractive index of AlN nanosheets are calculated for both parallel ( ) and perpendicular ( ) electric field polarizations.
Geim, A. K., Novoselov, K. S., (2007). “The rise of graphene”, Nat. Mater., 6 (3): 183-191.
Ataca, C., Şahin, H., Aktürk, E., Ciraci, S., (2011). “Mechanical and Electronic Properties of MoS2 Nanoribbons and Their Defects”, J. Phys. Chem. C, 115 (10): 3934-3941.
Kumar, Ashok, Ahluwalia, P. K., (2013). “Mechanical strain dependent electronic and dielectric properties of two-dimensional honeycomb structures of MoX2 (X=S, Se, Te)”, Physica B: Condensed Matter, 419: 66-75.
Mohan, Brij, Kumar, Ashok, Ahluwalia, P. K., (2013). “A first principle calculation of electronic and dielectric properties of electrically gated low-buckled mono and bilayer silicene”, Physica E: Low-dimensional Systems and Nanostructures, 53: 233-239.
Wan, Q., Xiong, Zh., Dai, J., Rao, J., Jiang, F., (2008). “First-principles study of Ag-based p-type doping difficulty in ZnO”, Optical Material, 30 (6): 817–821.
Sun, Lian, Li, Yafei, Li, Zhenyu, Li, Qunxiang, Zhou, Zhen, Chen, Zhongfang, Yang, Jinlong, Hou, J. G., (2008). “Electronic structures of SiC nanoribbons”, J. Chem. Phys., 129 (17): 174114–174117.
Zhang, Run-Wu, Zhang, Chang-Wen, Ji, Wei-Xiao, Li, Sheng-Shi, Hu, Shu-Jun, Yan, Shi-Shen, Li, Ping, Wang, Pei-Ji, Li, Feng, (2015). “Ethynyl-functionalized stanene film: a promising candidate as large-gap quantum spin Hall insulator”, New Journal of Physics, 17: 083036.
Wang Ya-ping, Ji Wei-xiao, Zhang Chang-wen, Li Ping, Li Feng, Wang Pei-ji, Li Sheng-shi, Yan Shi-shen, (2016). “Large-gap quantum spin Hall state in functionalized dumbbell stanene”, Applied Physics Letters, 108:073104.
Zhang Runwu, Ji Weixiao, Zhang Chang-wen, Li Shengshi, Li Ping, Wang Peiji, (2016). “New Family of Room Temperature Quantum Spin Hall Insulators in Two-Dimensional Germanene films”, J. Mater. Chem. C,4: 2088-2094.
Zhao Hui, Zhang Chang-wen, Ji Wei-xiao, Zhang Run-wu, Li Sheng-shi, Yan Shi-shen, Zhang Bao-min, Li Ping, Wang Pei-ji, (2016). “Unexpected Giant-Gap Quantum Spin Hall Insulator in Chemically Decorated Plumbene Monolayer”, Scientific Reports, 6: 20152.
Vurgaftman, I., Meyer, J. R., (2003). “Band parameters for nitrogen-containing semiconductors” J. Appl. Phys., 94: 3675.
Wu, J., (2009). “When group-III nitrides go infrared: New properties and perspectives”, J. Appl. Phys., 106: 011101.
Tsipas, P, Kassavetis S, Tsoutsou D, Xenogiannopoulou E, Golias E, Giamini S. A., Grazianetti C, Chiappe D, Molle A, Fanciulli M, Dimoulas A, (2013). “Evidence for graphite-like hexagonal AlN nanosheets epitaxially grown on single crystal Ag (111)”, Appl. Phys. Lett., 103: 251605.
Liu, P, Sarkar, A De, Ahuja, R, (2014). “Shear strain induced indirect to direct transition in band gap in AlN monolayer nanosheet”, Computational Materials Science, 86: 206210.
Shi Changmin, Qin Hongwei, Zhang Yongjia, Hu Jifan, Ju Lin, (2014). “Magnetic properties of transition metal doped AlN nanosheet: First-principle studies”, Journal of Applied Physics, 115: 053907.
Peng Yuting, Xia Congxin, Zhang Heng, Wang Tianxing, Wei Shuyi, Jia Yu, (2014). “Tunable electronic structures of p-type Mg doping in AlN nanosheet”, Journal of Applied Physics, 116: 044306.
Strite, S., Morkoc, H., (1992). “GaN, AlN, and InN: A review”, Journal of Vacuum Science and Technology B, 10 (4): 1237.
Sahin, H., Cahangirov, S., Topsakal, M., Bekaroglu, E., Akturk, E., Senger, R., Ciraci, S., (2009). “Monolayer honeycomb structures of group-IV elements and III-V binary compounds: First-principles calculations”, Phys. Rev. B, 80 (15): 155453–155464.
Liu, P., Sarkar, A., Ahuja, R., (2013). “Shear strain induced indirect to direct transition in band gap in AlN monolayer nanosheet”, Computational Materials Science, 86: 206-210.
Zhang, Ch., Wang, P., (2011). “Tuning electronic and magnetic properties of AlN nanosheets with hydrogen and fluorine: First-principles prediction”, Physics Letters A, 375 (41): 3583–3587.
Wooten, F., (1972). “Optical Properties of Solids”, New York: University of California, Academic Press.