Polytypism in ZnS, ZnSe, and ZnTe: First-principles study

Physical Review B - Condensed Matter and Materials Physics

Volumn 89, Issue 24, 2014, Pages

  Boutaiba, F ^a   Belabbes, A ^b   Ferhat, M ^a   Bechstedt, F ^c  

^a UNIVERSITÉ DES SCIENCES ET DE LA TECHNOLOGIE D ORAN MOHAMED BOUDIAF   (Algeria)

^b KING ABDULLAH UNIVERSITY OF SCIENCE AND TECHNOLOGY   (Saudi Arabia)

^c FRIEDRICH SCHILLER UNIVERSITY JENA   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84903643979     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.89.245308     Document Type: Article

References (97)

1. K. Hiruma, T. Katsuyama, K. Ogawa, M. Koguchi, H. Kakibayashi, and G. P. Morgan, Appl. Phys. Lett. 59, 431 (1991). APPLAB 0003-6951 10.1063/1.105453
2. N. W. Jepps and T. F. Page, Prog. Cryst. Growth Charact. Mater. 7, 259 (1983). PCGCDG 0146-3535 10.1016/0146-3535(83)90034-5 (Pubitemid 15460084)
3. D. Kriegner, C. Panse, B. Mandl, K. A. Dick, M. Keplinger, J. M. Persson, P. Caroff, D. Ercolani, L. Sorba, F. Bechstedt, J. Stangl, and G. Bauer, Nano Lett. 11, 1483 (2011). NALEFD 1530-6984 10.1021/nl1041512
4. Z. A. Peng and X. Peng, J. Am. Chem. Soc. 124, 3343 (2002). JACSAT 0002-7863 10.1021/ja0173167 (Pubitemid 34270375)
5. L. b. Manna, D. Milliron, A. Meisel, E. Scher, and A. Alivisatos, Nat. Mater. 2, 382 (2003). 1476-1122 10.1038/nmat902
6. A. Ohtake, J. Nakamura, M. Terauchi, F. Sato, M. Tanaka, K. Kimura, and T. Yao, Phys. Rev. B 63, 195325 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.63. 195325
7. S. Li, Y. Jiang, D. Wu, B. Wang, Y. Zhang, J. Li, X. Liu, H. Zhong, L. Chen, and J. Jie, Appl. Phys. A 102, 469 (2011). APAMFC 0947-8396 10.1007/s00339-010-6242-7
8. K.-T. Yong, Y. Sahoo, H. Zeng, M. T. Swihart, J. R. Minter, and P. N. Prasad, Chem. Mater. 19, 4108 (2007). CMATEX 0897-4756 10.1021/cm0709774 (Pubitemid 47340278)
9. E. Janik, P. Duewski, S. Kret, A. Presz, H. Kirmse, W. Neumann, W. Zaleszczyk, L. T. Baczewski, A. Petroutchik, E. Dynowska, J. Sadowski, W. Caliebe, G. Karczewski, and T. Wojtowicz, Nanotechnology 18, 475606 (2007). NNOTER 0957-4484 10.1088/0957-4484/18/47/475606 (Pubitemid 350050166)
10. Y. Hao, G. Meng, Z. L. Wang, C. Ye, and L. Zhang, Nano Lett. 6, 1650 (2006). NALEFD 1530-6984 10.1021/nl060695n (Pubitemid 44327526)
11. M. I. B. Utama, M. de la Mata, C. Magen, J. Arbiol, and Q. Xiong, Adv. Funct. Mater. 23, 1636 (2013). 1616-301X 10.1002/adfm.201202027
12. C. Panse, D. Kriegner, and F. Bechstedt, Phys. Rev. B 84, 075217 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.075217
13. A. Belabbes, C. Panse, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 86, 075208 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.075208
14. C.-Y. Yeh, Z. W. Lu, S. Froyen, and A. Zunger, Phys. Rev. B 46, 10086 (1992). PRBMDO 0163-1829 10.1103/PhysRevB.46.10086
15. M. Ferhat and A. Zaoui, Appl. Phys. Lett. 88, 161902 (2006). APPLAB 0003-6951 10.1063/1.2196050
16. M. Ferhat and A. Zaoui, Phys. Rev. B 73, 115107 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.115107 (Pubitemid 43391037)
17. N. Saidi-Houat, A. Zaoui, and M. Ferhat, J. Phys.: Condens. Matter 19, 106221 (2007). JCOMEL 0953-8984 10.1088/0953-8984/19/10/106221 (Pubitemid 46478387)
18. C.-Y. Yeh, S.-H. Wei, and A. Zunger, Phys. Rev. B 50, 2715 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.2715
19. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). PRBMDO 0163-1829 10.1103/PhysRevB.45.13244
20. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
21. A. Dal Corso, Phys. Rev. B 82, 075116 (2010). PRBMDO 1098-0121 10.1103/PhysRevB.82.075116
22. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. P. Seitsonen, A. Smogunov, P. Umari, and R. M. Wentzcovitch, J. Phys.: Condens. Matter 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
23. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 0556-2805 10.1103/PhysRevB.13.5188
24. L. G. Ferreira, M. Marques, and L. K. Teles, Phys. Rev. B 78, 125116 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.78.125116
25. L. G. Ferreira, M. Marques, and L. K. Teles, AIP Adv. 1, 032119 (2011). 2158-3226 10.1063/1.3624562
26. M. S. Hybertsen and S. G. Louie, Phys. Rev. B 37, 2733 (1988). PRBMDO 0163-1829 10.1103/PhysRevB.37.2733
27. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). PHRVAO 0031-899X 10.1103/PhysRev.140.A1133
28. F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. 30, 244 (1944). PNASA6 0027-8424 10.1073/pnas.30.9.244
29. A. Belabbes, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 87, 035305 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.87.035305
30. D. Spirkoska, A. L. Efros, W. R. L. Lambrecht, T. Cheiwchanchamnangij, A. Fontcuberta i Morral, and G. Abstreiter, Phys. Rev. B 85, 045309 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.85.045309
31. J. Lähnemann, O. Brandt, U. Jahn, C. Pfüller, C. Roder, P. Dogan, F. Grosse, A. Belabbes, F. Bechstedt, A. Trampert, and L. Geelhaar, Phys. Rev. B 86, 081302 (2012). PRBMDO 1098-0121 10.1103/PhysRevB.86.081302
32. A. Belabbes, L. C. de Carvalho, A. Schleife, and F. Bechstedt, Phys. Rev. B 84, 125108 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.125108
33. D. Kriegner, S. Assali, A. Belabbes, T. Etzelstorfer, V. Holý, T. Schülli, F. Bechstedt, E. P. A. M. Bakkers, G. Bauer, and J. Stangl, Phys. Rev. B 88, 115315 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.115315
34. R. E. Algra, M. A. Verheijen, M. T. Borgstrom, L.-F. Feiner, G. Immink, W. J. P. van Enckevort, E. Vlieg, and E. P. A. M. Bakkers, Nature (London) 456, 369 (2008). NATUAS 0028-0836 10.1038/nature07570
35. P. Caroff, K. Dick, J. Johansson, M. Messing, K. Deppert, and L. Samuelson, Nat. Nano 4, 50 (2009). 1748-3387 10.1038/nnano.2008.359
36. H. Landolt and R. Börnstein, in Numerical Data and Functional Relationships in Science and Technology, edited by K.-H. Hellwege, O. Madelung, M. Schulz, and H. Weiss (Springer, Berlin, 1982), Vol. III.
37. S. Biering and P. Schwerdtfeger, J. Chem. Phys. 136, 034504 (2012). JCPSA6 0021-9606 10.1063/1.3675833
38. O. Madelung, U. Rössler, and M. Schulz, in II-VI and I-VII Compounds, Semimagnetic Compounds, edited by L.-B. N. Series (Springer, Berlin, 1999), Vol. III.
39. B. H. Lee, J. Appl. Phys. 41, 2988 (1970). JAPIAU 0021-8979 10.1063/1.1659350
40. N. Lakshmi, N. M. Rao, R. Venugopal, D. Reddy, and B. Reddy, Mat. Chem. Phys. 82, 764 (2003). MCHPDR 0254-0584 10.1016/j.matchemphys.2003.07.004
41. N. K. Abrikosov, V. B. Bankina, L. V. Porestskaya, L. E. Shelimova, and E. V. Skudnova, Semiconducting II-VI, IV-IV, and V-IV Compounds (Plenum, New York, 1969).
42. O. Madelung and L. Börnstein, (eds.), Semiconductors, Physics of II-VI and I-VII Compounds, Semimagnetic Semiconductors, Vol. 17, New Series, Group III, Pt. a (Springer, Berlin, 1982).
43. A. García and M. L. Cohen, Phys. Rev. B 47, 4215 (1993). PRBMDO 0163-1829 10.1103/PhysRevB.47.4215
44. A. Zaoui, M. Ferhat, B. Khelifa, J. P. Dufour, and H. Aourag, Phys. Status Solidi B 185, 163 (1994). PSSBBD 0370-1972 10.1002/pssb.2221850112
45. E. H. Kisi and M. M. Elcombe, Acta Crystallogr. Sect. C 45, 1867 (1989). ACSCEE 0108-2701 10.1107/S0108270189004269
46. F. Bechstedt and A. Belabbes, J. Phys.: Condens. Matter 25, 273201 (2013). JCOMEL 0953-8984 10.1088/0953-8984/25/27/273201
47. C. Raffy, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 66, 075201 (2002). PRBMDO 0163-1829 10.1103/PhysRevB.66.075201
48. F. Bechstedt, P. Käckell, A. Zywietz, K. Karch, B. Adolph, K. Tenelsen, and J. Furthmüller, Phys. Status Solidi B 202, 35 (1997). PSSBBD 0370-1972 10.1002/1521-3951(199707)202:1<35::AID-PSSB35>3.0.CO;2-8 (Pubitemid 127092903)
49. A.-B. Chen and A. Sher, Data in Science and Technology; Semiconductors Other Than Group IV Elements and III-V Compounds (Springer, Berlin, 1992).
50. R. R. Reeber and G. W. Powell, J. Appl. Phys. 38, 1531 (1967). JAPIAU 0021-8979 10.1063/1.1709718
51. Y. Jiang, X.-M. Meng, J. Liu, Z.-R. Hong, C.-S. Lee, and S.-T. Lee, Adv. Mater. 15, 1195 (2003). ADVMEW 0935-9648 10.1002/adma.200304852
52. S. Takeuchi and K. Suzuki, Phys. Status Solidi A 171, 99 (1999). PSSABA 0031-8965 10.1002/(SICI)1521-396X(199901)171:1<99::AID-PSSA99>3.0.CO;2-B
53. J. von Boehm and P. Bak, Phys. Rev. Lett. 42, 122 (1979). PRLTAO 0031-9007 10.1103/PhysRevLett.42.122
54. A. Zywietz, K. Karch, and F. Bechstedt, Phys. Rev. B 54, 1791 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.1791
55. P. Käckell, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 60, 13261 (1999). PRBMDO 0163-1829 10.1103/PhysRevB.60.13261
56. P. J. H. Denteneer, in Atomic Scale Calculations in Materials Science, edited by J. Tersoff, D. Vanderbilt, and V. Vitek, MRS Symposia Proceedings No. 141 (Materials Research Society, Pittsburgh, 1989).
57. S. Limpijumnong and W. R. L. Lambrecht, Phys. Rev. B 57, 12017 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.57.12017
58. T. Ito, Jpn. J. Appl. Phys. 37, L1217 (1998). JAPLD8 0021-4922 10.1143/JJAP.37.L1217
59. H. Zhang, J. Zhang, T. Xu, M. He, and J. Li, RSC Adv. 3, 3535 (2013). 2046-2069 10.1039/c3ra22876b
60. C. E. E. Volker Heine, C. Cheng, and R. J. Needs, MRS Proc. 242, 507 (1992). 1946-4274 10.1557/PROC-242-507
61. M. Y. Chou, M. L. Cohen, and S. G. Louie, Phys. Rev. B 32, 7979 (1985). PRBMDO 0163-1829 10.1103/PhysRevB.32.7979
62. A. Gross and H. Teichler, Philos. Mag. Part B 64, 413 (1991). 1364-2812 10.1080/13642819108215266
63. P. Käckell, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 58, 1326 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.58.1326
64. S. K. Yadav and R. Ramprasad, Appl. Phys. Lett. 100, 241903 (2012). APPLAB 0003-6951 10.1063/1.4729153
65. S. O. Kasap and P. Capper, Springer Handbook of Electronic and Photonic Materials (Springer, Canada, 2006).
66. W. H. Strehlow and E. L. Cook, J. Phys. Chem. Ref. Data 2, 163 (1973). JPCRBU 0047-2689 10.1063/1.3253115
67. Edited by O. Madelung, Semiconductors, Basic Data, 2nd ed. (Springer, Berlin, 1996).
68. U. Rossow, T. Werninghaus, D. Zahn, W. Richter, and K. Horn, Thin Solid Films 233, 176 (1993). THSFAP 0040-6090 10.1016/0040-6090(93)90084-3
69. A. D. Milns and D. L. Feucht, Heterojunctions and Metal-Semiconductors Junctions (Academic, New York, 1972).
70. B. Montegu, A. Laugier, and D. Barbier, Phys. Rev. B 19, 1920 (1979). PRBMDO 0163-1829 10.1103/PhysRevB.19.1920
71. O. Zakharov, A. Rubio, X. Blase, M. L. Cohen, and S. G. Louie, Phys. Rev. B 50, 10780 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.10780
72. A. Fleszar and W. Hanke, Phys. Rev. B 71, 045207 (2005). PRBMDO 1098-0121 10.1103/PhysRevB.71.045207 (Pubitemid 40418081)
73. J. P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
74. J. P. T. Santos, M. Marques, L. G. Ferreira, R. R. Pelá, and L. K. Teles, Appl. Phys. Lett. 101, 112403 (2012). APPLAB 0003-6951 10.1063/1.4751285
75. F. Matusalem, M. Ribeiro, Jr., M. Marques, R. R. Pelá, L. G. Ferreira, and L. K. Teles, Phys. Rev. B 88, 224102 (2013). PRBMDO 1098-0121 10.1103/PhysRevB.88.224102
76. A. Belabbes, A. Zaoui, and M. Ferhat, Appl. Phys. Lett. 97, 242509 (2010). APPLAB 0003-6951 10.1063/1.3527978
77. R. R. Pelá, M. Marques, L. G. Ferreira, J. Furthmüller, and L. K. Teles, Appl. Phys. Lett. 100, 202408 (2012). 10.1063/1.4718602
78. O. P. Silva Filho, M. Ribeiro, R. R. Pelá, L. K. Teles, L. G. Ferreira, and M. Marques, J. Appl. Phys. 114, 033709 (2013). 10.1063/1.4812493
79. M. Ribeiro, L. R. C. Fonseca, T. Sadowski, and R. Ramprasad, J. Appl. Phys. 111, 073708 (2012). 10.1063/1.3699054
80. S. Assali, I. Zardo, S. Plissard, D. Kriegner, M. A. Verheijen, G. Bauer, A. Meijerink, A. Belabbes, F. Bechstedt, J. E. M. Haverkort, and E. P. A. M. Bakkers, Nano Lett. 13, 1559 (2013). NALEFD 1530-6984 10.1021/nl304723c
81. A. Belabbes, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 84, 205304 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.205304
82. W. G. Aulbur, L. Jönsson, and J. W. Wilkins, in Solid State Physics: Advances in Research and Applications, edited by H. Ehrenreich and F. Spaepen, Vol. 54 (Academic Press, San Diego, 2000), pp. 1-218.
83. L. Hedin and S. Lundqvist, in Advances in Research and Applications, Solid State Physics, Vol. 23, edited by D. T. Frederick Seiz and H. Ehrenreich (Academic, New York, 1970), pp. 1-181.
84. M. Shishkin and G. Kresse, Phys. Rev. B 75, 235102 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.75.235102
85. F. Fuchs, J. Furthmüller, F. Bechstedt, M. Shishkin, and G. Kresse, Phys. Rev. B 76, 115109 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.115109
86. A. Schleife, F. Fuchs, J. Furthmüller, and F. Bechstedt, Phys. Rev. B 73, 245212 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.73.245212 (Pubitemid 43938703)
87. M. Rohlfing, P. Krüger, and J. Pollmann, Phys. Rev. B 57, 6485 (1998). PRBMDO 0163-1829 10.1103/PhysRevB.57.6485
88. S.-H. Wei and A. Zunger, Phys. Rev. B 37, 8958 (1988). PRBMDO 0163-1829 10.1103/PhysRevB.37.8958
89. M. Murayama and T. Nakayama, Phys. Rev. B 49, 4710 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.49.4710
90. S. Z. Karazhanov, P. Ravindran, A. Kjekshus, H. Fjellvg, U. Grossner, and B. G. Svensson, J. Appl. Phys. 100, 043709 (2006). JAPIAU 0021-8979 10.1063/1.2227266 (Pubitemid 44327272)
91. Edited by O. Madelung, Semiconductors: Other than Group IV Elements and III-V Compounds (Springer, Berlin, 1992).
92. S. Shokhovets, O. Ambacher, and G. Gobsch, Phys. Rev. B 76, 125203 (2007). PRBMDO 1098-0121 10.1103/PhysRevB.76.125203
93. P. Y. Yu and M. Cardona, Fundamentals of Semiconductors: Physics and Material Properties (Springer, Berlin, 1995).
94. A. V. Rodina and B. K. Meyer, Phys. Rev. B 64, 245209 (2001). PRBMDO 0163-1829 10.1103/PhysRevB.64.245209
95. K. Kim, W. R. L. Lambrecht, B. Segall, and M. van Schilfgaarde, Phys. Rev. B 56, 7363 (1997). PRBMDO 0163-1829 10.1103/PhysRevB.56.7363
96. Y. A. Bychkov and E. I. Rashba, J. Phys. C 17, 6039 (1984). JPSOAW 0022-3719 10.1088/0022-3719/17/33/015
97. G. Dresselhaus, Phys. Rev. 100, 580 (1955). PHRVAO 0031-899X 10.1103/PhysRev.100.580