Study of the Phase Transition and Physical Properties of AlAs, ScAs and Al_xSc_1-XAs Compounds by the FP-LMTO Method

[1] A. Srivastava, N. Tyagi,High pressure behavior of AlAs nanocrystals: the first-principle study, High Pressure Research: An International Journal 32, (2012) 43-47. Search in Google Scholar

[2] V. Nayak, U. P. Verma, Study of Structural and Electronic Properties of ScN and ScAs in Rocksalt and Zincblende Structure 1675, American Institute of physics. (2015). Search in Google Scholar

[3] A. Tebboune, D. Rached, A. Benzair, N. Sekkal, A. H. Belbachir, Structural and electronic properties of ScSb, ScAs, ScP and ScN, Physica Status Solidi B, 243, (2006) 2788–2795. Search in Google Scholar

[4] Y. Junhui, G. Mao, K-H.Xue, J. Wang, A new family of two-dimensional ferroelectric semiconductors with negative Poisson’s ratio, Nanoscale 12 (2020) 1-30. Search in Google Scholar

[5] W. Lopez-perez, N. Simon, R. Gonzalez, J. A. Rodriguez, First-principles study of the structural, electronic, and thermodynamic properties of Sc_1—xAl_xAs alloys, Phys. Status Solidi B250, (2013) 2163–2173. Search in Google Scholar

[6] W. Kohn, L.J. Sham, Self-Consistent Equations Including Exchange and Correlation Effects, Physical. Review. 140 A (1965) 1133. Search in Google Scholar

[7] S.Y. Savrasov, Z. Kristallogr, Program LMTART for Electronic Structure Calculations, Newark, 220 NJ 07102, 555 (2005). Search in Google Scholar

[8] H. Rekab-Djabri, S. Louhibi-Fasla, Structural and electronic properties of Cu_XAg_1-XCl: First-principles study, Eur. Phys. J. Plus 132 (2017) 471. Search in Google Scholar

[9] J.P. Perdew, Y. Wang, Accurate and simple analytic representation of the electron-gas energy, Physical. Review. B 45, (1992) 13244. Search in Google Scholar

[10] G. Gruner, Density Waves in Solids, Addison-Wesley Publishing Company 98, (2018). Search in Google Scholar

[11] Peierls R.E., Quantum Theory of Solids, Oxford University press 238, (1996). Search in Google Scholar

[12] Fröhlich. H, On the thery of dielectric breakdown in solids, Proceedings of the. Royal. Society. Lon. Ser-A 223 (1954). Search in Google Scholar

[13] A. Zunger, M.L. Cohen, Electronic structure of CuCl, Physical. Review. B: Condens. Matter 20 (1979) 1189. Search in Google Scholar

[14] F.D. Murnaghan, The Compressibility of Media under Extreme Pressures, Proc. Natl. Acad. Sci. U.S.A. 30, (1944) 244-247. Search in Google Scholar

[15] W. M. Yim, E. J. Stofko, and R. T. Smith, Vapor Growth and Properties of ScAs and ScP. Applied Physics 43, (1972) 254-256. Search in Google Scholar

[16] S. Adachi, Properties of Semiconductor Alloys: Group-IV, III–V and II–VI semiconductors. Wiley Series in Materials for Electronic 282 (2009). Search in Google Scholar

[17] A. Maachou, B. Amrani, and M. Driz, Theoretical investigation of the lowest electronic states of ScSe molecule, Physica B388, (2007) 384-389. Search in Google Scholar

[18] R. Ahmed, S. J. Hashemifar, H. Akbarzadeh, M. Ahmed, and F. E-Aleem, Ab initio of structural and electronic properties of III-arsenid binary compounds, Comput. Mater. Sci.39, (2007) 580-586. Search in Google Scholar

[19] S.T. Oyama, The chemistry of transition metal carbides and nitrides, Springer, Dordrecht 414 (1996) 28-52. Search in Google Scholar

[20] A. Gueddim, S. Zerroug, N. Bouarissa, Band structure and optical prperties of plyaniline polymer material, Journal of Luminescence. 135 (2013) 243-247. Search in Google Scholar

[21] I. Vurgaftman, J. R. Meyer, and L. R. Ram-Mohan, Band parameters for III-V compound semiconductors and their alloy, J. Appl. Phys. 89 (2001) 5815-5875. Search in Google Scholar

[22] N. Bioud, X-W. Sun, S. Daoud, T. Song, R. Khenata, S. Bin Omran, High-teperature and high-pressure physical properties of Cul with zinc-blende phase by a systematic ab initio investigation,Optik, 155 (218) 17-25. Search in Google Scholar

[23] T. Özer, Study of first principles on anisotropy and elastic constants of YAl₃ compound, Canadian Journal of Physics 98 (2020) 357-363. Search in Google Scholar

[24] S. Daoud, N. Bioud, L. Belagraa, N. Lebga, Elastic, Optoelectronic and Thermal Properties of Boron Phosphide, J. Nano- Electron. Physics 14 (2013) 504061. Search in Google Scholar

[25] O. Stenzel, The Physics of Thin Film Optical Spectra, Springer Cham 44 (2016)2435. Search in Google Scholar

[26] S. Rameshkumar, G. Jaiganesh, V. Jayalakshmi, Refractive index of AlAs and AlSb compounds: An ab-initio study, Indian Journal of Science 14 (2015) 29-34. Search in Google Scholar

[27] H. Shinotsuka, H. Yoshikawa, S. Tanuma, First Principles Calculations of Optical Energy Loss Function for 30 Compound and 5 Elemental Semiconductors, Journal of Surface Science and Nanotechnology19, (2021)70-87. Search in Google Scholar

[28] T. Peng, J. Piprek, Refractive index of AlGaInN alloys, Electronics Letters 32, (1996) 2285-2286. Search in Google Scholar

[29] S. K. Tripathy, Refractive Indices of Semiconductors from Energy gaps, Optical Materials 46 (2015) 240-246. Search in Google Scholar

[30] L. Boudaoud, W. Adli, R. Mechref, N. Sekkal, Electronic properties of cubic ScGaAs and ScGaN ternaries and superlattices, Superlattices and Microstructures 47, (2010) 361-368. Search in Google Scholar