Thermodynamic stability, stoichiometry, and electronic structure of bcc-In2O3 surfaces

Physical Review B - Condensed Matter and Materials Physics

Volumn 84, Issue 4, 2011, Pages

  Agoston, Peter ^a   Albe, Karsten ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 79961193539     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.84.045311     Document Type: Article

References (79)

1. L. S. Hung and C. H. Chen, Mater. Sci. Eng. R MIGIEA 0927-796X 10.1016/S0927-796X(02)00093-1 39, 143 (2002).
2. C. J. Brabec, N. S. Sariciftci, and J. C. Hummelen, Adv. Funct. Mater. MIGIEA 1616-301X 10.1002/1616-3028(200102)11:1<15::AID-ADFM15>3.0.CO;2-A 11, 15 (2001).
3. H. Kim, C. M. Gilmore, A. Piqué, J. S. Horwitz, H. Mattoussi, H. Murata, Z. H. Kafafi, and D. B. Chrisey, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.371708 86, 6451 (1999).
4. P. Peumans, A. Yakimov, and S. R. Forrest, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1534621 93, 3693 (2003).
5. H. L. Hartnagel, A. K. J. Dawar, and C. Jagadish, Semiconducting Transparent Thin Films (Institute of Physics Publishing, Bristol, 1995).
6. D. S. Ginley and C. Bright, MRS Bull. 10.1557/mrs2000.43 25, 15 (2000).
7. T. Kamiya and H. Hosono, Int. J. Appl. Ceram. Technol. JAPIAU 1546-542X 10.1111/j.1744-7402.2005.02033.x 2, 285 (2005). (Pubitemid 41217405)
8. G. Frank and G. Köstlin, Appl. Phys. A APAMFC 0947-8396 10.1007/BF00619080 27, 197 (1982).
9. T. Takada, K. Suzuki, and M. Nakane, Sens. Actuators B SABCEB 0925-4005 10.1016/0925-4005(93)85412-4 13, 404 (1993).
10. T. Takada, H. Tanjou, T. Saito, and K. Harada, Sens. Actuators B: SABCEB 0925-4005 10.1016/0925-4005(95)85119-4 25, 548 (1995).
11. A. Gurlo, N. Brsan, M. Ivanovskaya, U. Weimar, and W. Gpel, Sens. Actuators B: SABCEB 0925-4005 10.1016/S0925-4005(98)00033-1 47, 92 (1998).
12. S.-R. Kim, H.-K. Hong, C. H. Kwon, D. H. Yun, K. Lee, and Y. K. Sung, Sens. Actuators B: SABCEB 0925-4005 10.1016/S0925-4005(99)00468-2 66, 59 (2000).
13. A. Galdikas, Z. Martunas, and A. Setkus, Sens. Actuators B SABCEB 0925-4005 10.1016/0925-4005(92)80377-A 7, 633 (1992).
14. H. Yamaura, T. Jinkawa, J. Tamaki, K. Moriya, N. Miura, and N. Yamazoe, Sens. Actuators B: SABCEB 0925-4005 10.1016/S0925-4005(97)80090-1 36, 325 (1996), Proceedings of the Sixth International Meeting on Chemical Sensors.
15. Y. Sawada and Y. Taga, Thin Solid Films THSFAP 0040-6090 10.1016/0040-6090(84)90454-1 116, L55 (1984). (Pubitemid 14660902)
16. C. K. Choi, C. H. Margraves, S. I. Jun, A. E. English, P. D. Rack, and K. D. Kihm, Sensors THSFAP 1424-8220 10.3390/s8053257 8, 3257 (2008).
17. J. Li, H. Fu, L. Fu, and J. Hao, Environ. Sci. Technol. ESTHAG 0013-936X 10.1021/es061629q 40, 6455 (2006). (Pubitemid 44630916)
18. P. Cox, W. Flavell, and R. Egdell, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(87)90321-5 68, 340 (1987).
19. A. Klein, A. Körber, C. Wachau, F. Säuberlich, Y. Gassenbauer, S. P. Harvey, and T. O. Mason, Thin Solid Films THSFAP 0040-6090 10.1016/j.tsf.2009.05.057 518, 1197 (2009).
20. A. Klein, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1312199 77, 2009 (2000).
21. Y. Gassenbauer, R. Schafranek, A. Klein, S. Zafeiratos, M. Hävecker, A. Knop-Gericke, and R. Schlögl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.73.245312 73, 245312 (2006). (Pubitemid 43882723)
22. L. F. J. Piper, A. DeMasi, S. W. Cho, K. E. Smith, F. Fuchs, F. Bechstedt, C. Körber, A. Klein, D. J. Payne, and R. G. Egdell, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3070524 94, 022105 (2009).
23. A. Bourlange, D. J. Payne, R. G. Egdell, J. S. Foord, P. P. Edwards, M. O. Jones, A. Schertel, P. J. Dobson, and J. L. Hutchison, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2889500 92, 092117 (2008). (Pubitemid 351357397)
24. P. D. C. King, T. D. Veal, D. J. Payne, A. Bourlange, R. G. Egdell, and C. F. McConville, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.101. 116808 101, 116808 (2008).
25. P. D. C. King, T. D. Veal, F. Fuchs, Ch. Y. Wang, D. J. Payne, A. Bourlange, H. Zhang, G. R. Bell, V. Cimalla, O. Ambacher, R. G. Egdell, F. Bechstedt, C. F. McConville, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.79. 205211 79, 205211 (2009).
26. S. P. Harvey, T. O. Mason, Y. Gassenbauer, R. Schafranek, and A. Klein, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/39/18/006 39, 3959 (2006). (Pubitemid 44335697)
27. V. Golovanov, M. A. Mäki-Jaskari, T. T. Rantala, G. Korotcenkov, V. Brinzari, A. Cornet, and J. Morante, Sens. Actuators B SABCEB 0925-4005 10.1016/j.snb.2004.07.026 106, 563 (2005).
28. S. P. Harvey, T. O. Mason, C. Körber, Y. Gassenbauer, and A. Klein, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.2953435 92, 252106 (2008).
29. M. V. Hohman, P. Agoston, A. Wachau, T. Bayer, J. Brötz, K. Albe, and A. Klein, J. Phys. Condens. Matter (in press).
30. H. Ohta, M. Orita, M. Hirano, and H. Hosono, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1448873 91, 3547 (2002). (Pubitemid 34256068)
31. M. Kamei, H. Enomoto, and I. Yasui, Thin Solid Films THSFAP 0040-6090 10.1016/S0040-6090(01)01041-0 392, 265 (2001). (Pubitemid 32618197)
32. Y. Shigesato, S. Takaki, and T. Haranoh, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.350931 71, 3356 (1992).
33. A. Bourlange, D. J. Payne, R. G. Palgrave, H. Zhang, J. S. Foord, R. G. Egdell, R. M. J. Jacobs, T. D. Veal, P. D. C. King, and C. F. McConville, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3153966 106, 013703 (2009).
34. E. H. Morales and U. Diebold, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.3275716 95, 253105 (2009).
35. R. E. Larson, Ph.D. thesis, Technische Universität Darmstadt, 2007.
36. V. Brinzari, G. Korotcenkov, M. Ivanov, V. Nehasil, V. Matolin, K. Masek, and M. Kamei, Surf. Sci. SUSCAS 0039-6028 10.1016/j.susc.2007.09.049 601, 5585 (2007). (Pubitemid 350122668)
37. E. H. Morales, Y. He, M. Vinnichenko, B. Delley, and U. Diebold, New J. Phys. NJOPFM 1367-2630 10.1088/1367-2630/10/12/125030 10, 125030 (2008).
38. E. J. Tarsa, J. H. English, and J. S. Speck, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.109408 62, 2332 (1993).
39. M. Kamei, T. Yagami, S. Takaki, and Y. Shigesato, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.111474 64, 2712 (1994).
40. M. Kamei, Y. Shigesato, and S. Takaki, Thin Solid Films THSFAP 0040-6090 10.1016/0040-6090(94)06390-7 259, 38 (1995).
41. O. Bierwagen and J. S. Speck, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3415539 107, 113519 (2010).
42. C. Zhou, S. Chen, J. Wu, R. K. Heier, and H. Cheng, J. Phys. Chem. C JAPIAU 1932-7447 10.1021/jp801229g 112, 14015 (2008).
43. Z. R. Xiao, X. F. Fan, L. X. Guan, C. H. A. Huan, J. L. Kuo, and L. Wang, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/27/272202 21, 272202 (2009).
44. D. Fuks, D. Shapiro, A. Kiv, V. Golovanov, and C. Liu, Int. J. Quantum Chem. 10.1002/qua.22487 111, 1902 (2010).
45. A. Walsh and C. R. A. Catlow, J. Mater. Chem. 10.1039/c0jm01816c 20, 10438 (2010).
46. M. Batzill and U. Diebold, Prog. Surf. Sci. PSSFBP 0079-6816 10.1016/j.progsurf.2005.09.002 79, 47 (2005). (Pubitemid 41656098)
47. G. Kresse, O. Dulub, and U. Diebold, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.68.245409 68, 245409 (2003).
48. M. Marezio, Acta Crystallogr. ACCRA9 0365-110X 10.1107/S0365110X66001749 20, 723 (1966).
49. P. Agoston and K. Albe, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.195205 81, 195205 (2010).
50. P. W. Tasker, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/12/22/036 12, 4977 (1979).
51. J. Goniakowski, F. Finocchi, and C. Noguera, Rep. Prog. Phys. RPPHAG 0034-4885 10.1088/0034-4885/71/1/016501 71, 016501 (2008).
52. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
53. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
54. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
55. P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
56. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
57. R. F. W. Bader, Atoms in Molecules-A Quantum Theory (Oxford University Press, Oxford, 1990).
58. J. Tersoff and D. R. Hamann, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.31.805 31, 805 (1985).
59. A. Hinchecliffe, Chemical Modeling: Applications and Theory (RSC Publishing, Cambridge, UK, 2006), Vol. 4.
60. K. Reuter and M. Scheffler, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.65.035406 65, 035406 (2001).
61. D. R. Lide, Handbook of Chemistry and Physics 85th edition (CRC Press, Boca Raton, FL, 2005).
62. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996);
63. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396 78, 1396 (E) (1997).
64. D. R. Stull and H. Prohet, JANAF Thermochemical Tables, 2nd ed. (U. S. National Bureau of Standards, Washington, DC, 1971).
65. K. Sugiyama, H. Ishii, Y. Ouchi, and K. Seki, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.371859 87, 295 (2000).
66. F. Esch, S. Fabris, L. Zhou, T. Montini, C. Africh, P. Fornasiero, G. Comelli, and R. Rosei, Science SCIEAS 0036-8075 10.1126/science.1111568 309, 752 (2005). (Pubitemid 41077317)
67. A. Gurlo, D. Dzivenko, P. Kroll, and R. Riedel, Phys. Status Solidi Rapid Res. Lett. SCIEAS 1862-6254 10.1002/pssr.200802201 2, 269 (2008).
68. D. F. Mullica, G. W. Beall, W. O. Milligan, J. D. Korp, and I. Bernal, J. Inorg. Nucl. Chem. JINCAO 0022-1902 10.1016/0022-1902(79)80133-5 41, 277 (1979).
69. R. Shuttleworth, Proc. Phys. Soc. A PPSAAM 0370-1298 10.1088/0370-1298/ 63/5/302 63, 444 (1950).
70. R. Egdell, W. Flavell, and P. Tavener, J. Solid State Chem. JSSCBI 0022-4596 10.1016/0022-4596(84)90351-7 51, 345 (1984).
71. P. Agoston, C. Körber, M. J. Puska, R. M. Nieminen, A. Klein, and K. Albe, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.3467780 108, 053511 (2010).
72. P. Agoston, P. Erhart, A. Klein, and K. Albe, J. Phys. Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/21/45/455801 21, 455801 (2009).
73. K. Hauffe, Angew. Chem. ANCEAD 0044-8249 10.1002/ange.19560682403 68, (1956).
74. H. Geistlinger, Sens. Actuators B SABCEB 0925-4005 10.1016/0925-4005(93) 85183-B 17, 47 (1993).
75. A. F. Holleman, E. Wiberg, and N. Wiberg, Lehrbuch der Anorganischen Chemie (Walter de Gruyter & Co., Berlin, 1995).
76. P. Agoston and K. Albe, Surf. Sci. 10.1016/j.susc.2011.01.007 605, 714 (2011).
77. S. Lany and A. Zunger, Phys. Rev. Lett. PRBMDO 0031-9007 10.1103/PhysRevLett.98.045501 98, 045501 (2007). (Pubitemid 46155740)
78. P. Agoston, K. Albe, R. M. Nieminen, and M. J. Puska, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.245501 103, 245501 (2009).
79. Y. Hao, G. Meng, L. Ye, and C. Zhang, Cryst. Growth Des. CGDEFU 1528-7483 10.1021/cg050103z 5, 1617 (2005). (Pubitemid 41032681)