Theoretical analysis of the electronic, optical and thermal properties of lead strontium telluride alloys Pb_1−xSr_xTe (x = 0.0−1.0)

References

• J. Philipps, T. Töpfer, H. Ebendorff-Heidepriem, D. Ehrt, R. Sauerbrey, and N. Borrelli, Diode-pumped erbium-ytterbium-glass laser passively Q-switched with a PbS semiconductor quantum-dot doped glass, Appl. Phys. B. 72 (2001), pp. 175–178.10.1007/s003400000415
   Web of Science ®Google Scholar
• H. Preier, Recent advances in lead-chalcogenide diode lasers, Appl. Phys. 20 (1979), pp. 189–206.10.1007/BF00886018
   Google Scholar
• H. Zogg, A. Fach, J. John, J. Mosek, P. Muller, C. Paglino, and W. Buttler, Photovoltaic lead-chalcogenide on silicon infrared sensor arrays, Opt. Eng. 33 (1994), pp. 1440–1449.10.1117/12.165808
   Web of Science ®Google Scholar
• Z. Feit, M. McDonald, R.J. Woods, V. Archambault, and P. Mak, Low threshold PbEuSeTe/PbTe separate confinement buried heterostructure diode lasers, Appl. Phys. Lett. 68 (1996), pp. 738–740.10.1063/1.116726
   Web of Science ®Google Scholar
• G.P. Agrawal and N.K. Dutta, Semiconductors lasers, Van Nostrand Reinhold, New York, NY, 1995, pp. 547–582.10.1007/978-1-4613-0481-4
   Google Scholar
• P.K. Nair, M. Ocampo, A. Fernandez, and M.T.S. Nair, Solar control characteristics of chemically deposited lead sulfide coatings, Sol. Energy Mater. 20 (1990), pp. 235–243.10.1016/0165-1633(90)90008-O
   Google Scholar
• D.L. Partin, C.M. Thrush, and B.M. Clemens, Lead strontium telluride and lead barium telluride grown by molecular-beam epitaxy, J. Vac. Sci. Technol. B 5 (1987), pp. 686–689.10.1116/1.583805
   Google Scholar
• W. Bin-Bin, W. Hui-Zhen, S.I. Jian-Xiao, and X. Tian-Ning, Band gap energies and refractive indices of epitaxial Pb1−x SrxTe thin films, Chin. Phys. Lett. 25 (2008), pp. 3334–3337.10.1088/0256-307X/25/9/064
   Web of Science ®Google Scholar
• F. Felder, M. Fill, M. Rahim, H. Zogg, N. Quack, S. Blunier, and J. Dual, Lead salt resonant cavity enhanced detector with MEMS mirror, Phys. Procedia 3 (2010), pp. 1127–1131.10.1016/j.phpro.2010.01.150
   Google Scholar
• M. Simma, G. Bauer, and G. Springholz, Band alignments and strain effects in PbTe/Pb1−xSrxTe and PbSe/Pb1−xSrxSe quantum-well heterostructures, Phys. Rev. B 90 (2014), pp. 195310-1–195310-10.
   Web of Science ®Google Scholar
• O.K. Andersen, Linear methods in band theory, Phys. Rev. B 12 (1975), pp. 3060–3083.10.1103/PhysRevB.12.3060
   Web of Science ®Google Scholar
• G.K.H. Madsen, P. Blaha, K. Schwarz, E. Sjöstedt, and L. Nordström, Efficient linearization of the augmented plane-wave method, Phys. Rev. B 64 (2001), pp. 195134–151195144.10.1103/PhysRevB.64.195134
   Web of Science ®Google Scholar
• P. Hohenberg and W. Kohn, Inhomogeneous electron gas, Phys. Rev. B 136 (1964), pp. B864–B871.10.1103/PhysRev.136.B864
   Web of Science ®Google Scholar
• W. Kohn and L.J. Sham, Self-consistent equations including exchange and correlation effects, Phys. Rev. A 140 (1965), pp. A1133–A1138.10.1103/PhysRev.140.A1133
   Web of Science ®Google Scholar
• P. Blaha, G.K.H. Madsen, D. Kvasnicka, and J. Luitz(eds.), WIEN2K, an augmented plane wave plus local orbitals program for calculating crystal properties, Austria, Vienna, 2008.
   Google Scholar
• J.P. Perdew, K. Burke, and M. Ernzerhof, Generalized gradient approximation made simple, Phys. Rev. Lett. 77 (1996), pp. 3865–3868.10.1103/PhysRevLett.77.3865
   PubMed Web of Science ®Google Scholar
• Z. Wu and R.E. Cohen, More accurate generalized gradient approximation for solids, Phys. Rev. B 73 (2006), pp. 235116-1–235116-6.
   Web of Science ®Google Scholar
• F. Tran and P. Blaha, Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential, Phys. Rev. Lett. 102 (2009), pp. 226401–226405.10.1103/PhysRevLett.102.226401
   PubMed Web of Science ®Google Scholar
• A.D. Becke and E.R. Johnson, A simple effective potential for exchange, J. Chem. Phys. 124 (2006), pp. 221101-1–221101-4.
   Web of Science ®Google Scholar
• H.G. Zimmer, H. Winzen, and K. Syassen, High-pressure phase transitions in CaTe and SrTe, Phys. Rev. B 32 (1985), pp. 4066–4070.10.1103/PhysRevB.32.4066
   PubMed Web of Science ®Google Scholar
• O. Madelung, M. Schulz, and H. Weiss (eds.), Numerical data and functional relationships in science and technology Landolt–Bornstei, New Series Vol. 17, Springer, Berlin, 1983.
   Google Scholar
• R. Khenata, H. Baltache, M. Rerat, M. Driz, M. Sahnoun, B. Bouhafs, and B. Abbar, First-principle study of structural, electronic and elastic properties of SrS, SrSe and SrTe under pressure, Phys. B 339 (2003), pp. 208–215.
   Web of Science ®Google Scholar
• I.B. Banu, M. Rajagopalan, B. Palanivel, G. Kalpana, and P. Shenbagaraman, Structural and electronic properties of SrS, SrSe, and SrTe under pressure, J. Low Temp. Phys. 112 (1998), pp. 211–226.10.1023/A:1022685715644
   Web of Science ®Google Scholar
• M. Lach-hab and A. Dimitrios, Papaconstantopoulos and M.J. Mehl, electronic structure calculations of lead chalcogenides PbS, PbSe, PbTe, J. Phys. Chem. Solids 63 (2002), pp. 833–841.10.1016/S0022-3697(01)00237-2
   Web of Science ®Google Scholar
• A. Zaoui, S. Kacimi, M. Zaoui, and B. Bouhafs, Theoretical investigation of electronic structure of PbSxTe1−x and PbSexTe1−x alloys, Mater. Chem. Phys 114 (2009), pp. 650–655.10.1016/j.matchemphys.2008.10.020
   Web of Science ®Google Scholar
• S. Nie, X.Y. Xu, G. Xu, and Z. Fang, Band gap anomaly and topological properties in lead chalcogenides, Chin. Phys. B 25 (2016), pp. 037311-1–037311-7.
   Web of Science ®Google Scholar
• A. Zunger, S.H. Wei, L.G. Feireira, and J.E. Bernard, Special quasirandom structures, Phys. Rev. Lett. 65 (1990), pp. 353–356.
   Google Scholar
• T. Tinoco, M. Quintero, and C. Rincon, Variation of the energy gap with composition in AIBIIIC2VI chalcopyrite-structure alloys, Phys. Rev. B 44 (1991), pp. 1613–1615.10.1103/PhysRevB.44.1613
   Web of Science ®Google Scholar
• V.P. Gupta and N.M. Ravindra, Comments on the Moss formula, Phys. Status Solidi b 100 (1980), pp. 715–719.10.1002/(ISSN)1521-3951
   Google Scholar
• N.M. Ravindra, S. Auluck, and V.K. Srivastava, On the Penn gap in semiconductors, Phys. Status Solidi B 93 (1979), pp. K155–K160.10.1002/(ISSN)1521-3951
   Google Scholar
• J.P.L. Herve and L.K. Vandamme, General relation between refractive index and energy gap in semiconductors, J. Infrared Phys. Technol. 35 (1994), pp. 609–615.10.1016/1350-4495(94)90026-4
   Web of Science ®Google Scholar
• T.S. Moss, G.J. Burrel, and B. Ellis, Semiconductor Opto-Electronics, (London: Butterworths) 1973.
   Google Scholar
• M.A. Salem, The dependence of the high frequency refractive index on the electronegativities in compound semiconductors, Chin. J. Phys. 41 (2002), pp. 288–295.
   Google Scholar
• A.K. Walton and T.S. Moss, Determination of refractive index and correction to effective electron mass in PbTe and PbSe, Proc. Phys. Soc. 81 (1963), pp. 509–513.10.1088/0370-1328/81/3/319
   Google Scholar
• C. Sifi, H. Meradji, M. Slimani, S. Labidi, S. Ghemid, E.B. Hanneche, and F. El Haj, Hassan, First principle calculations of structural, electronic, thermodynamic and optical properties of Pb1−xCaxS, Pb1−xCaxSe and Pb1−xCaxTe ternary alloys, J. Phys. Condens. Matter 21 (2009), pp. 195401-1–195401-9.
   Web of Science ®Google Scholar
• L.K. Teles, J. Furthmuller, L.M.R. Scolfaro, J.R. Leite, and F. Bechstedt, First-principles calculations of the thermodynamic and structural properties of strained InxGa1−xN and AlxGa1−xN alloys, Phys. Rev. B 62 (2000), pp. 2475–2485.10.1103/PhysRevB.62.2475
   Web of Science ®Google Scholar
• S. Adachi, Band gaps and refractive indices of AlGaAsSb, GaInAsSb, and InPAsSb: Key properties for a variety of the 2–4-μm optoelectronic devices, J. Appl. Phys. 61 (1987), pp. 4869–4876.10.1063/1.338352
   Web of Science ®Google Scholar
• M.A. Blanco, A. Martín Pendás, E. Francisco, J.M. Recio, and R. Franco, Thermodynamical properties of solids from microscopic theory: applications to MgF2 and Al2O3, J. Mol. Struct. Theochem. 368 (1996), pp. 245–255.10.1016/S0166-1280(96)90571-0
   Web of Science ®Google Scholar
• M.A. Blanco, E. Francisco, and V. Luaña, GIBBS: isothermal-isobaric thermodynamics of solids from energy curves using a quasi-harmonic Debye model, Comput. Phys. Commun. 158 (2004), pp. 57–72.10.1016/j.comphy.2003.12.001
   Web of Science ®Google Scholar
• M.L. Cohen and J.R. Chelikowsky. Electronic Structure and Optical Properties of Semiconductors, 2nd ed. Springer Series in Solids States Sciences Vol. 75, Springer-Verlag, Berlin, 1989.
   Google Scholar
• M. Dadsetani and A. Pourghazi, Optical properties of strontium monochalcogenides from first principles, Phys. Rev. B73 (2006), pp. 195102-1–195102-7.
   Google Scholar
• S. Labidi, H. Meradji, M. Labidi, S. Ghemid, S. Drablia, and F. El Haj Hassan, First principles calculations of structural, electronic and thermodynamic properties of SrS, SrSe, SrTe compounds and SrS_1−xSe_x alloy, Phys. Proc. 2 (2009), pp. 1205–1212.
   Google Scholar
• S.H. Wei, L.G. Ferreira, J.E. Bernard, and A. Zunger, Electronic properties of random alloys: Special quasirandom structures, Phys. Rev. B 42 (1990), pp. 9622–9649.
   Google Scholar
• P. Debye, Zur theorie der spezifischen [To theory of warming-specific], Ann. Phys. 39 (1912), pp. 789–839.10.1002/(ISSN)1521-3889
   Web of Science ®Google Scholar