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An ab-initio Investigation: The physical properties of ScIr₂ Superconductor ^*

DOI: 10.21883/FTT.2019.04.47408.332

Переводная версия: 10.1134/S1063783419040310

Chowdhury Uttam Kumar¹, Saha Tapas Chandra¹

¹Department of Physics, Pabna University of Science and Technology, Pabna

Department of Physics, Pabna University of Science and Technology, Pabna, Bangladesh

Email: phy.uttam@gmail.com

Поступила в редакцию: 24 октября 2018 г.

Выставление онлайн: 20 марта 2019 г.

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Using ab initio technique the physical properties of ScIr₂ superconductor have been investigated with T_c-1.03 K with a MgCu₂-type structure. We have carried out the plane- wave pseudopotential approach within the framework of the first-principles density functional theory (DFT) implemented within the CASTEP code. The calculated structural parameters confirm a good agreement with the experimental and other theoretical results. Using the Voigt-Reuss-Hill (VRH) averaging scheme the most important elastic properties including the bulk modulus B, shear modulus G, Young's modulus E and Poisson's ratio ν of ScIr₂ are determined. At ambient condition, the values of Cauchy pressure and Pugh's ratio exhibit ductile nature of ScIr₂. The electronic and optical properties of ScIr₂ were investigated for the first time. The electronic band structure reveals metallic conductivity and the major contribution comes from Ir-5d states. In the ultraviolet region the reflectivity is high up to 50 eV as evident from the reflectivity spectrum.

O. Rapp, J. Invarsson, T. Claeson. Phys. Lett. A 50, 3, 159 (1974)
E. Deligoz, K. Colakoglu, H. Ozisik, Y.O. Cifti. Comput. Mater. Sci. 68, 27 (2013)
E. Deligoz, H. Ozisik, K. Colakoglu. Phil. Mag. 94, 13, 1379 (2014)
A. Zh Tuleushev, V.N. Volodin, Yu Zh Tuleushev. J. Exp. Theor. Phys. Lett. 78, 7, 440 (2003)
S.J. Clark, M.D. Segall, C.J. Pickard, P.J. Hasnip, M.J. Probert, K. Refson, M.C. Payne, Z. Krist. 220, 567 (2005)
Materials Studio CASTEP Manual\_Accelrys. (2010). P. 261. www.tcm.phy.cam.ac.uk/castep/documentation /WebHelp/ CASTEP.html
P. Hohenberg, W. Kohn. Phys. Rev. B 136, 864 (1964)
J.P. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou, K. Burke. Phys. Rev. Lett. 100, 136406 (2008)
J.P. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou, K. Burke. Phys. Rev. Lett. 100, 136406 (2008)
H.J. Monkhorst, J.D. Pack. Phys. Rev. B 13, 5188 (1976)
B.G. Pfrommer, M. Cote, S.G. Louie, M.L. Cohen. J. Comput. Phys. 131, 233 (1997)
J. Kang, E.C. Lee, K.J. Chang. Phys. Rev. B 68, 054106 (2003)
Donald E. Sands, A. Zalkin, O.H. Krikorian. Acta Crystallogr. 12, 6, 461 (1959)
J.Y. Wang, Y.C. Zhou. Phys. Rev. B 69, 214111 (2004)
J.F. Nye. Proprie'te\_s Physiques des Mate'riaux, Dunod, Paris (1961)
R. Hill. Proc. Phys. Soc. A 65, 349 (1952)
Z.J. Wu, E.J. Zhao, H.P. Xiang, X.F. Hao, X.J. Liu. J. Phys. Rev. B 76, 054115 (2007)
M. Born. In: On the Stability of Crystal Lattices. I. Cambridge University Press (1940). P. 160
D.G. Pettiifor. J. Mater. Sci. Technol. 8 345 (1992)
Yong Liu, Wen-Cheng Hu, De-jiang Li, Xiao-Qin Zeng, Chun-Shui Xu, Xiang-Jie Yang. Intermetallics 31, 257 (2012)
D. Pettifor. Mater. Sci. Technol. 8, 345 (1992)
S.F. Pugh. Phil. Mag. 45, 823 (1954)
Q.J. Liu, Z.T. Liu, L.P. Feng, H. Tian. Comput. Mater. Sci. 50, 2833 (2011)
M.d. Rahman, M.d. Rahaman. The structural, elastic, electronic and optical properties of MgCu under pressure: A first-principles study, arXiv (2015) preprint arXiv:1510.02020
Y. Cao, J.C. Zhu, Y. Liu, Z.S. Nong, Z.H. Lai. Comput. Mater. Sci. 69, 40 (2013)
B.G. Pfrommer, M.S.G. Louie, M.L. Cohen. J. Comput. Phys. 131, 233 (1997)
C. Zener. Elasticity and Anelasticity of Metals. University of Chicago Press, Chicago (1948)
R.S. Mulliken. J. Chem. Phys. 23, 1833 (1955)
M.D. Segall, R. Shah, C.J. Pickard, M.C. Payne. Phys. Rev. B 54, 16317 (1996)
Md. Roknuzzaman, A.K.M.A. Islam. ISRN Condens. Matter Phys. 2013 (2013)
M.A. Hossain, M.S. Ali, A.K.M.A. Islam. Eur. Phys. J. B 85, 396 (2012)

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