121
Views
2
CrossRef citations to date
0
Altmetric
Part B: Condensed Matter Physics

Electronic structures and optical properties of doped CuInTe2 chalcopyrite materials: density functional calculations

Pages 2157-2168 | Received 18 Mar 2021, Accepted 03 Jul 2021, Published online: 19 Jul 2021

References

  • F. Chiker, B. Abbar, A. Tadjer, S. Bresson, B. Khelifa, and C. Mathieu, Electronic structure and optical properties of ternary CdXP2 semiconductors (X = Si, Ge and Sn) under pressure. Phys. B 349(1) (2004), pp. 181–191.
  • A.V. Kopytov and A.V. Kosobutsky, Ab initio calculations of the vibrational spectra of AgInSe2 and AgInTe2. Phys. Solid State 51(10) (2009), pp. 2115–2120.
  • S. Sahin, Y.O. Ciftci, K. Colakoglu, and N. Korozlu, First principles studies of elastic, electronic and optical properties of chalcopyrite semiconductor ZnSnP2. J. Alloys Compd. 529 (2012), pp. 1–7.
  • L.X. Shao, K.H. Chang, T.H. Chung, B.H. Tseng, and H.L. Hwang, Steps toward industrialization of Cu-III-VI2 thin-film solar cells: a novel full in-line concept. J. Phys. Chem. 64 (2003), pp. 1505–1509.
  • K. Ramanathan, F.S. Hasoon, S. Smith, D.L. Young, M.A. Contreras, P.K. Johnson, A.O. Pudov, and J.R. Sites, Surface treatment of CuInGaSe2 thin films and its effect on the photovoltaic properties of solar cells. J. Phys. Chem. Solid 64 (2003), pp. 1495–1498.
  • J.L. Shay, L.M. Schiavone, E. Buehier, and J.H. Wernick, Spontaneous- and stimulated-emission spectra of CdSnP2. J. Appl. Phys. 43 (1972), pp. 2805–2810.
  • S. Wagner, J.L. Shay, B. Tell, and H.M. Kasper, Green electroluminescence from CdS–CuGaS2 heterodiodes. Appl. Phys. Lett. 22 (1973), pp. 351–353.
  • B.F. Levine, Bond-charge calculation of nonlinear optical susceptibilities for various crystal structures. Phys. Rev. B 7 (1973), pp. 2600–2626.
  • M. Mobarak and H.T. Shaban, Characterization of CuInTe2 crystals. Mater. Chem. Phys. 147 (2014), pp. 439–442.
  • H. Hahn, G. Frank, W. Klinger, A. Merer, and G. Stroger, Untersuchungen über ternäre Chalkogenide. V. Über einige ternäre Chalkogenide mit Chalkopyritstruktur. Z. Anorg. Allg. Chem. 271 (1953), pp. 153–170.
  • K.J. Range, G. Engert and A. Weiss, High pressure transformations of ternary chalcogenides with chalcopyrite structure - I. indium-containing compounds. Solid. State. Commun 7 (1969), pp. 1749–1752.
  • P.R. Locher and R.P. Van Stapele, Supertransferred hyperfine fields on tetrahedral sites in some chromium sulpho- and seleno spinels. J. Phys. Chem. Solids 31 (1970), pp. 2643–2652.
  • J.E. Jaffe and A. Zunger, Theory of the band-gap anomaly in ABC2 chalcopyrite semiconductors. Phys. Rev. B 29 (1984), pp. 1882–1906.
  • H.G. Zhou, H. Chen, D. Chen, Y. Li, K.N. Ding, X. Huang, and Y.F. Zhang, Electronic structures and optical properties of CuAlX2 (X = S, Se, Te) semiconductors with a chalcopyrite structure. Acta Phys.-Chim. Sin. 27 (2011), pp. 2805–2813.
  • Z. Xian-Zhou, S. Ke-Sheng, J. Zhao-Yong, and H. Xiao-Fen, A study of the electronic structures and optical properties of CuXTe2 (X = Al, Ga, In) ternary semiconductors. Comp. Theor. Chem. 1010 (2013), pp. 67–72.
  • A. Shankar, R.K. Thapa, and P.K. Mandal, Electronic and optical properties of CuInTe2. J. Phys.: Conf. Ser. 765 (2016), pp. 012008–012012.
  • A.H. Reshak and S. Auluck, Electronic structure, linear, nonlinear optical susceptibilities and birefringence of CuInX2 (X = S, Se, Te) chalcopyrite-structure compounds. PMC Phys. B 1(12) (2008), pp. 1–17.
  • J. Wei, H.J. Liu, L. Cheng, J. Zhang, J.H. Liang, P.H. Jiang, D.D. Fan, and J. Shi, Tuning the carrier concentration to improve the thermoelectric performance of CuInTe2 compound. AIP Adv. 5 (2015), pp. 107230–107236.
  • P. Janicek, V. Kucek, J. Kasparova, T. Plechacek, E. Cernoskova, L. Benes, M. Munzar, and C. Drasar, Study of indium non-stoichiometry in CuInTe2 and Its effects on the thermoelectric properties. J. Elec. Mater. 48 (2019), pp. 2112–2119.
  • N. Taghizade, G. Rashedi, Z. Nourbakhsh, and M. Farahi, Three dimensional topological insulators of CuxAu1-xInTe2 alloys. J. Alloys Compd. 593 (2014), pp. 235–241.
  • N. Cheng, R. Liu, S. Bai, X. Shi, and L. Chen, Enhanced thermoelectric performance in Cd doped CuInTe2 compounds. J. Appl. Phys. 115 (2014), pp. 163705–163713.
  • V. Kucek, C. Drasar, J. Navratil, T. Plechacek, and L. Benes, Thermoelectric properties of Ni-doped CuInTe2. J. Phys. Chem. Solids 83 (2015), pp. 18–23.
  • Y. Zhong, P. Wang, H. Mei, Z. Jia, and N. Cheng, Electronic structures and optical properties of Cu1-xAgxInTe2 (x = 0, 0.25, 0.5, 0.75 and 1) chalcopyrite compounds. Mater. Sci. Semicond. Process. 84 (2018), pp. 42–49.
  • J.J. Arias, D.S. Daz, and D.A. Rasero Causila, Tight-binding study of the structure of the electronic energy band of the quaternary solid solutions series CuIn1-xAlxTe2. Eur. Phys. J. B 92 (2019), pp. 112–119.
  • K. Liu, M. Ji, H. Li, and C. Xu, Calculation of energy band and optical properties of CuInTe2 with doping. Integr. Ferroelectr. 197(1) (2019), pp. 33–42.
  • M. Hamid, S.A. Fadaam, L.A. Mohammed, and B.H. Hussein, Influence of addition (Mn) on enhance efficiency of (CuInTe2) photovoltaic cell. Eurasian Chem. Technol. J. 21 (2019), pp. 183–185.
  • J.P. Perdew, K. Ernzerhof, and M. Burke, Generalized gradient approximation made simple. Phys. Rev. Lett 77(18) (1996), pp. 3865–3868.
  • S.J. Clark, M.D. Segall, C.J. Pickard, P.J. Hasnip, M.I. Probert, K. Refson, and M.C. Payne, First principles methods using CASTEP. Z. Krist. 220(5-6) (2005), pp. 567–570.
  • M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne, First-principles simulation: ideas, illustrations and the CASTEP code. J. Phys.: Condens. Matter. 14(11) (2002), pp. 2717–2744.
  • M. Luo and M. Wuttig, The dependence of Crystal Structure of Te-Based phase-change materials on the number of valence electrons. Adv. Mater. 16 (2004), pp. 439–443.
  • T. Deniozou, N. Esser, T. Schulmeyer, and R. Hunger, A (4×2) reconstruction of CuInSe2 (001) studied by low-energy electron diffraction and soft x-ray photoemission spectroscopy. Appl. Phys. Lett. 88 (2006), pp. 52102–52104.
  • J.L. Shay and J.H. Wernick, Ternary Chalcopyrite Semiconductors: Growth Electronic Properties, and Applications, Pergamon Press, Oxford, 1975.
  • C.G. Broyden, The convergence of a class of double-rank minimization algorithms. J. Inst. Math. Appl. 6 (1970), pp. 76–90.
  • R. Fletcher, A New approach to Variable Metric algorithms. Computer J. 13 (1970), pp. 317–322.
  • D. Goldfarb, A family of variable metric updates derived by variational means. Math. Comput. 24 (1970), pp. 23–26.
  • D.F. Shanno, Conditioning of quasi-newton methods for function minimization. Math. Comput. 24 (1970), pp. 647–656.
  • W.R.L. Lambrecht and X. Jiang, Noncritically phase-matched second-harmonic-generation chalcopyrites based on CdSiAs2 and CdSiP2. Phys. Rev. B 70(4) (2004), pp. 045204–045210.

Reprints and Corporate Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

To request a reprint or corporate permissions for this article, please click on the relevant link below:

Academic Permissions

Please note: Selecting permissions does not provide access to the full text of the article, please see our help page How do I view content?

Obtain permissions instantly via Rightslink by clicking on the button below:

If you are unable to obtain permissions via Rightslink, please complete and submit this Permissions form. For more information, please visit our Permissions help page.