Calculation of Electronic Structure Properties Of Two-Dimensional AlN/SiC Heterojunction Under Biaxial Stress

Yiqing Ma

doi:10.62051/ijcsit.v3n3.36

Authors

Yiqing Ma

DOI:

https://doi.org/10.62051/ijcsit.v3n3.36

Keywords:

AlN / SiC heterostructure, Biaxial stress, Electronic structure characteristic, Effective mass

Abstract

Under the action of in-plane biaxial stress, the electronic structure properties of the two-dimensional AlN/SiC heterostructure were studied by first principles. The two-dimensional AlN/SiC heterostructure has an indirect band gap in its original state, and the band gap can be adjusted under -10%~10% biaxial strain, without the transition to direct band gap and metal. The application of in-plane biaxial stress can effectively adjust the electronic characteristics. Based on the calculation of the energy band, the influence of the external biaxial tensile strain on the effective carrier mass is discussed. The results show that the band gap of the two-dimensional semiconductor material can be adjusted by the in-plane biaxial strain. It has the expected application value.

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References

[1] Xia, C.X.; Xiong, W. Q.; Xiao,W. B.; Du, J.; Fang, L. Z.; Li, J. B.; Jia, Y. “Enhanced Carrier Concentration and Electronic Transport by Inserting Graphene into van der Waals Heterostructures of Transition-Metal Dichalcogenides,” Physical Review Applied, 2018, 10, No. 024028,.

[2] Liu Y.X.; Cheng, X. L. “Modulation of the electronic properties of two-dimensional MoTe2/WSe2 heterostructure by electrical field,” Physica E: Low-dimensional Systems and Nanostructures, 2019, 108, 90-95,.

[3] Mannix, A. J.; Zhou, X.F.; Kiraly, B.; Wood, J. D.; Alducin, D.; Myers, B. D.; Liu, X. L.; Fisher, B. L.; Santiago, U.; Guest, J. R.; Yacaman, M. J.; Ponce, A.; Oganov, A. R.; Hersam, M. C.; Guisinger, N. P. “Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs,” Science, 2015, 350, No.6267, 1513-1516.

[4] Zabolotskiy, A. D.; Lozovik,Yu. E. “Strain-induced pseudomagnetic field in the Dirac semimetal borophene,” Physical Review B, 2016, 94, No.165403.

[5] Pontes, R. B.; Miwa, R. H.; Antônio J. R.; Silva, D.; Fazzio, A.; Padilha, J. “Layer-dependent band alignment of few layers of blue phosphorus and their van der Waals heterostructures with graphene,” Physical Review B, 2018, 97, No. 235419.

[6] Yang, C. H.; Zhang, J. Y. G.; Wang, X.; Zhang, C. “Dependence of the optical conductivity on the uniaxial and biaxial strains in black phosphorene,” Physical Review B, 2018, 97, No. 245408,.

[7] Zhang X. T.; Liu Z.; Hark, S. “Synthesis and optical characterization of single-crystalline AlN nanosheets,” Solid State Communications, 2007, 143, 317–320,.

[8] AlBalushi, Z.Y.; Wang, Ke.; Ghosh, R. K.; Vilá1, R.A.; Eichfeld, S. M.; Caldwell, J. D.; Qin, X.Y.; Lin, Y. C.; DeSario, P. A.; Stone, G.; Subramanian S.; Paul, D.F.; Wallace, R. M.; Datta, S.; Redwing J. M.; Robinson J.A. “Two-dimensional gallium nitride realized via graphene encapsulation,” Nature Materials, 2016, 15, 1166-1171.

[9] Lin,J.H.; Zhang H.; Cheng X. L.; Miyamoto, Y. “Two-dimensional wide-band-gap nitride semiconductors: Single-layer 1T-XN2 (X = S, Se, and Te),” Physical Review B, 2016, 94, No. 195404.

[10] Wang, G. “Colloquium: Excitons in atomically thin transition metal dichalcogenides,” Reviews of Modern Physics, 2018, 90, No.021001.

[11] Xie,Y. Q.; Chen, M. Y.; Wu, Z. W.; Hu, Y. B.;Wang, Y.; Wang, J.; Guo, H. “Two-Dimensional Photogalvanic Spin-Battery,” Physical Review Applied, 2018, 10, No.034005.

[12] Stavrić, S.; Popović, Z.S.; Šljivančanin, Ž. “Understanding trends in lithium binding at two-dimensional materials,” Physical Review Materials, 2018, 2, No. 114007.

[13] Strite, S.; Morkoç, H. “GaN, AlN, and InN: A review,” Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, 1992, 10, 1237-1266.

[14] Satoh, I.; Arakawa, S.; Tanizaki, K.; Miyanaga, M.; Sakurada, T.; Yamamoto Y.; Nakahata, H. “Development of aluminum nitride single-crystal substrates,” Seitechnical Review, 2010, 71, pp. 78-82.

[15] XIAO Wenjun, LIU Tianyun, LIU Xuefei. Study on p-Type Doping of Two-Dimensional g-AlN Materials Based on First-Principles[J]. JOURNAL OF SYNTHETIC CRYSTALS, 2020, 49(12): 2261-2267.

[16] GONG Jianchao; ZHU Ruzhong; LIU Huan;WANG Qikun; LI Zhe; ZHANG Gang; WU Liang. Growth and Characterization of Freestanding AlN by PVT Method under Tungsten Crucible System [J]. JOURNAL OF SYNTHETIC CRYSTALS, 2020, 49(7): 1162-1167.

[17] Mansurov, V.; Malin, T.; Galitsyn, Yu.; Zhuravlev, K. “Graphene-like AlN layer formation on (111)Si surface by ammonia molecular beam epitaxy,” Journal of Crystal Growth, 2015, 428, 93-97.

[18] Tsipas, P.; Kassavetis, S.; Tsoutsou, D.; Xenogiannopoulou, E.; Golias, E.; Giamini, S. A.; Grazianetti, C.; Chiappe, D.; Molle, A.; Fanciulli, M.; Dimoulas, A. “Evidence for graphite-like hexagonal AlN nanosheets epitaxially grown on single crystal Ag(111),” Applied Physics Letters, 2013, 103, No. 251605.

[19] Jiao, Y.; Du, A.J.; Zhu, Z.H.; Rudolph, V.; Smith, S. C. “Adsorption of carbon dioxide and nitrogen on single-layer aluminum nitride nanostructures studied by density functional theory,” Journal of Physical Chemistry C, 2010, 114, 7846-7849.

[20] Liu P.; Sarkar, A. D.; Ahuja, R. “Shear strain induced indirect to direct transition in band gap in AlN monolayer nanosheet,” Computational Materials Science, 2014, 86, 206-210.

[21] Zhuang H.L.;Singh, A.K.; Hennig R. G. “Computational discovery of single-layer III-V materials,” Physical Review B, 2013, 87, No. 165415.

[22] Lin, S.S. “Light-emitting two-dimensional ultrathin silicon carbide,” Journal of Physical Chemistry C, 2012, 116, 3951-3955.

[23] Bekaroglu E.; Topsakal, M.; Cahangirov, S.; Ciraci1, S. “First-principles study of defects and adatoms in silicon carbide honeycomb structures,” Physical Review B, 2010, 81, 075433.

[24] Perdew J P, Burke K, Ernzerhof M. Generalized gradient approximation made simple [J]. Physical Review Letters, 1996, 77(18): 3865.

[25] Kresse G, Joubert D. From ultrasoft pseudopotentials to the projector augmented-wave method [J]. Physical review B, 1999, 59(3): 1758.

[26] Heyd, J.; Scuseria, G. E.; Ernzerhof, M. “Hybrid functionals based on a screened Coulomb potential,” Journal of Chemical Physics, 2003,118, 8207-8215.

[27] Wang B.; Wu, J.T.; Gu X.K.; Yin, H.Q.; Wei, Y.J.; Yang, R. G.; Dresselhaus, M. “Stable planar single-layer hexagonal silicene under tensile strain and its anomalous Poisson's ratio,” Applied Physics Letters, 2014, 104, No.081902.

[28] Belaroucia S.; Ouahrani T.; Benabdallaha, N.; Morales-Garcíac, Á.; Belabbasd, I. “Two-dimensional silicon carbide structure under uniaxial strains, electronic and bonding analysis,” Computational Materials Science, 2018, 151, 288-295.

[29] Manju M.S.; Ajith K.M.; Valsakumarb, M.C. “Strain induced anisotropic mechanical and electronic properties of 2D-SiC,” Mechanics of Materials, 2018,120, 43–52.