First-principles study of the interaction of H2O with the GaSb (001) surface

Journal of Applied Physics

Volumn 113, Issue 18, 2013, Pages

  Bermudez, V M ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CO-ORDINATIVELY UNSATURATED; DISPERSION-CORRECTED DENSITY FUNCTIONAL; DISSOCIATIVE ADSORPTION; FIRST-PRINCIPLES STUDY; GASB(001) SURFACE; H-TERMINATED SURFACE; MOLECULAR ADSORPTION; MOLECULAR WATER;

ADSORPTION; ATOMIC LAYER DEPOSITION; DENSITY FUNCTIONAL THEORY; DIMERS; DISSOCIATION; GALLIUM ALLOYS;

GALLIUM;

EID: 84878082488     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4803704     Document Type: Article

References (55)

1. P. S. Dutta, H. L. Bhat and V. Kumar, J. Appl. Phys. 81, 5821 (1997). 10.1063/1.365356
2. B. R. Bennett, R. Magno, J. B. Boos, W. Kruppa, and M. G. Ancona, Solid-State Electron. 49, 1875 (2005). 10.1016/j.sse.2005.09.008
3. F. Zaera, J. Phys. Chem. Lett. 3, 1301 (2012). 10.1021/jz300125f
4. L. Lin and J. Robertson, J. Vac. Sci. Technol. B 30, 04E101 (2012). 10.1116/1.4710513
5. C. Raisin, F. W. O. Da Silva, and L. Lassabatere, J. Vac. Sci. Technol. B 8, 68 (1990). 10.1116/1.584830
6. K. Yong and J. G. Ekerdt, Surf. Sci. 448, 108 (2000). 10.1016/S0039-6028(99)01212-1
7. J. Bonnet, L. Soonckindt, A. Ismail, and L. Lassabatere, Thin Solid Films 151, 103 (1987). 10.1016/0040-6090(87)90012-5
8. P. Pianetta, I. Lindau, C. M. Garner, and W. E. Spicer, Phys. Rev. B 18, 2792 (1978). 10.1103/PhysRevB.18.2792
9. P. W. Chye, C. Y. Su, I. Lindau, C. M. Garner, P. Pianetta, and W. E. Spicer, Surf. Sci. 88, 439 (1979). 10.1016/0039-6028(79)90085-2
10. Y. Mizokawa, O. Komoda, and S. Miyase, Thin Solid Films 156, 127 (1988). 10.1016/0040-6090(88)90288-X
11. Z. Y. Liu, B. Hawkins, and T. F. Keuch, J. Vac. Sci. Technol. B 21, 71 (2003). 10.1116/1.1532023
12. C. A. Wang, D. A. Shiau and A. Lin, J. Cryst. Growth 261, 385 (2004). 10.1016/j.jcrysgro.2003.11.032
13. K. Möller, L. Töben, Z. Kollonitsch, Ch. Giesen, M. Heuken, F. Willig, and T. Hannappel, Appl. Surf. Sci. 242, 392 (2005). 10.1016/j.apsusc. 2004.09.006
14. A. Nainai, Y. Sun, T. Irisawa, Z. Yuan, M. Kobayashi, P. Pianetta, B. R. Bennett, J. B. Boos, and K. C. Saraswat, J. Appl. Phys. 109, 114908 (2011). 10.1063/1.3590167
15. E. Weiss, O. Klin, S. Grossman, S. Greenberg, P. C. Klipstein, R. Akhvlediani, R. Tessler, R. Edrei, and A. Hoffman, J. Vac. Sci. Technol. A 25, 736 (2007). 10.1116/1.2746045
16. Z. Lu, Y. Jiang, W. I. Wang, M. C. Teich, and R. M. Osgood, Jr., J. Vac. Sci. Technol. B 10, 1856 (1992); 10.1116/1.586212
17. Z. Lu, Y. Jiang, W. I. Wang, M. C. Teich, and R. M. Osgood, Jr., Erratum., J. Vac. Sci. Technol. B 10, 2496 (1992). 10.1116/1.586047
18. L. B. Ruppalt, E. R. Cleveland, J. G. Champlain, S. M. Prokes, J. B. Boos, D. Park, and B. R. Bennett, Appl. Phys. Lett. 101, 231601 (2012). 10.1063/1.4768693
19. T. D. Veal, M. J. Lowe, and C. F. McConville, Surf. Sci. 499, 251 (2002). 10.1016/S0039-6028(01)01856-8
20. R. Ludeke, IBM J. Res. Develop. 22, 304 (1978). 10.1147/rd.223.0304
21. G. E. Franklin, D. H. Rich, A. Samsavar, E. S. Hirschorn, F. M. Leibsle, T. Miller, and T.-C. Chiang, Phys. Rev. B 41, 12619 (1990). 10.1103/PhysRevB.41. 12619
22. J. Olde, K.-M. Behrens, H.-P. Barnscheidt, R. Manzke, M. Skibowski, J. Henk, and W. Schattke, Phys. Rev. B 44, 6312 (1991). 10.1103/PhysRevB.44.6312
23. M. T. Sieger, T. Miller, and T.-C. Chiang, Phys. Rev. B 52, 8256 (1995). 10.1103/PhysRevB.52.8256
24. F. Maeda, Y. Watanabe, and M. Oshima, J. Electron Spectrosc. Relat. Phenom. 80, 225 (1996). 10.1016/0368-2048(96)02962-3
25. W. Barvosa-Carter, A. S. Bracker, J. C. Culbertson, B. Z. Nosho, B. V. Shanabrook, L. J. Whitman, H. Kim, N. A. Modine, and E. Kaxiras, Phys. Rev. Lett. 84, 4649 (2000). 10.1103/PhysRevLett.84.4649
26. M. C. Righi, R. Magri, and C. M. Bertoni, Phys. Rev. B 71, 075323 (2005). 10.1103/PhysRevB.71.075323
27. K. Chuasiripattana and G. P. Srivastava, Surf. Sci. 600, 3803 (2006). 10.1016/j.susc.2005.12.074
28. J. Houze, S. Kim, S.-G. Kim, S. C. Erwin, and L. J. Whitman, Phys. Rev. B 76, 205303 (2007). 10.1103/PhysRevB.76.205303
29. O. Romanyuk, V. M. Kaganer, R. Shayduk, B. P. Tinkham, and W. Braun, Phys. Rev. B 77, 235322 (2008). 10.1103/PhysRevB.77.235322
30. O. Romanyuk, F. Grosse, and W. Braun, Phys. Rev. B 79, 235330 (2009). 10.1103/PhysRevB.79.235330
31. C. Hogan, R. Magri, and R. Del Sole, Phys. Rev. Lett. 104, 157402 (2010). 10.1103/PhysRevLett.104.157402
32. P. Giannozzi, J. Phys.: Condens. Matter 21, 395502 (2009); 10.1088/0953-8984/21/39/395502
33. See: http://www.quantum-espresso.org/ Note that versions 4.3.x contain a bug that, under certain conditions, affects PW91 calculations. See the vers. 5.0 release notes for details.
34. L. Bengtsson, Phys. Rev. B 59, 12301 (1999). 10.1103/PhysRevB.59.12301
35. S. Grimme, J. Comput. Chem. 27, 1787 (2006). 10.1002/jcc.20495
36. A. Franke and E. Pehlke, Phys. Rev. B 81, 075409 (2010). 10.1103/PhysRevB.81.075409
37. A. Kokalj, Comp. Mater. Sci. 28, 155 (2003) 10.1016/S0927-0256(03)00104- 6;
38. See: http://www.xcrysden.org/ for further information.
39. W. Liu, W. T. Zheng, and Q. Jiang, Phys. Rev. B 75, 235322 (2007). 10.1103/PhysRevB.75.235322
40. B. C. Wood, T. Ogitsu, and E. Schwegler, J. Chem. Phys. 136, 064705 (2012). 10.1063/1.3682768
41. B. C. Wood, T. Ogitsu, and E. Schwegler, J. Photon. Energy 1, 016002 (2011). 10.1117/1.3625563
42. S. Jeon, H. Kim, W. A. Goddard III, and H. A. Atwater, J. Phys. Chem. C 116, 17604 (2012). 10.1021/jp3041555
43. A. B. Muñoz-Garcia and E. A. Carter, J. Am. Chem. Soc. 134, 13600 (2012). 10.1021/ja3063106
44. T. A. Nilsen, M. Breivik, G. Myrvågnes, and B.-O. Fimland, J. Vac. Sci. Technol. B 28, C3I17 (2010). 10.1116/1.3336341
45. M. Causà, R. Dovesi, and C. Roetti, Phys. Rev. B 43, 11937 (1991). 10.1103/PhysRevB.43.11937
46. H. J. McSkimin, A. Jayaraman, P. Andreatch, Jr., and T. B. Bateman, J. Appl. Phys. 39, 4127 (1968). 10.1063/1.1656935
47. N. N. Sirota and E. M. Gololobov, Dokl. Akad. Nauk SSSR 144, 398 (1962);
48. N. N. Sirota and E. M. Gololobov, English transl.: Dokl. Phys. Chem. 144, 405 (1962).
49. C.-H. Chung, S. I. Yi, and W. H. Weinberg, J. Vac. Sci. Technol. A 16, 1785 (1998). 10.1116/1.581107
50. G. A. Jeffrey, An Introduction to Hydrogen Bonding (Oxford Univ. Press, New York, 1997).
51. Thermochemical Properties of Inorganic Substances, 2nd ed., edited by, O. Knacke, O. Kubaschewski, and, K. Hesselmann, (Springer, Berlin, 1973).
52. A. Y. Timoshkin and H. F. Schaefer III, J. Am. Chem. Soc. 126, 12141 (2004). 10.1021/ja0400483
53. P. Popelier, Atoms in Molecules: An Introduction (Pearson Education, Harlow, U.K., 2000).
54. H. Lüth and R. Matz, Phys. Rev. Lett. 46, 1652 (1981). 10.1103/PhysRevLett.46.1652
55. G. Herzberg, Spectra of Diatomic Molecules (Van Nostrand, Princeton, NJ, 1950).