Ab initio calculation of phonons in GaP(110) and InAs(110) and trends within III-V(110) surfaces

Surface Science

Volumn 394, Issue 1-3, 1997, Pages 47-59

  Eckl, C ^a   Fritsch, J ^a,b   Pavone, P ^a   Schroder U ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b ARIZONA STATE UNIVERSITY   (United States)

Author keywords

Bulk phonons; Density functional perturbation theory; Density functional theory; III V(110) surfaces; Surface phonons; Surface relaxation

Indexed keywords

PERTURBATION TECHNIQUES; PHONONS; RELAXATION PROCESSES; SEMICONDUCTING GALLIUM COMPOUNDS; SEMICONDUCTING INDIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY; PLANE WAVE PSEUDOPOTENTIAL APPROACH; SLAB SUPERCELL METHOD;

SURFACE PROPERTIES;

EID: 0031355854     PISSN: 00396028     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-6028(97)00403-2     Document Type: Article

References (49)

1. U. Harten, J.P. Toennies, Europhys. Lett. 4 (1987) 833.
2. R.B. Doak, N.B. Nguyen, J. Electron. Spectrosc. Related Phenomena 44 (1987) 205.
3. P. Santini, P. Ruggerone, L. Miglio, R.B. Doak, Phys. Rev. B 46 (1992) 9865.
4. H. Nienhaus, W. Mönch, Phys. Rev. B 50 (1994) 11750.
5. H. Nienhaus, W. Mönch, Surf. Sci. 328 (1995) L561.
6. H. Nienhaus, in: R. Helbig (Ed.), Festkörperprobleme: Advances in Solid State Physics, vol. 36, Vieweg, Braunschweig, 1997.
7. S. Baroni, P. Giannozzi, A. Testa, Phys. Rev. Lett. 58 (1987) 1861.
8. P. Giannozzi, S. de Gironcoli, P. Pavone, S. Baroni, Phys. Rev. B 43 (1991) 7231.
9. J. Fritsch, P. Pavone, U, Schröder, Phys. Rev. Lett. 71 (1993) 4149.
10. J. Fritsch, P, Pavone, U. Schröder, Phys. Rev. B 52 (1995) 11326.
11. W.G. Schmidt, F. Bechstedt, G.P. Srivastava, Phys. Rev. B 52 (1995) 2001.
12. J. Fritsch, C. Eckl, P. Pavone, U. Schröder, in: R. Helbig (Ed.), Festkörperprobleme: Advances in Solid State Physics, vol. 36, Vieweg, Braunschweig, 1997.
13. J.L.A. Alves, J. Hebenstreit, M. Scheffler, Phys. Rev. B 44 (1991) 6188.
14. A. Umerski, G.P. Srivastava, Phys. Rev. B 51 (1995) 2334.
15. W. Mönch, Semiconductor Surfaces and Interfaces, Springer, Berlin, 1993.
16. L.H. Dubois, G.P. Schwartz, Phys. Rev. B 26 (1982) 794.
17. Y. Chen, D.J. Frankel, J.R. Anderson, G.J. Lapeyre, J. Vac. Sci. Technol. A 6 (1988) 752.
18. Y. Chen, J.C. Hermanson, G.J. Lapeyre, Phys. Rev. B 39 (1989) 12682.
19. H. Nienhaus, W. Mönch, to be published.
20. H. Tröger, W. Theis, G. König, K.H. Rieder, to be published.
21. H.M. Tütüncü, G.P. Srivastava, in: M. Scheffler, R. Zimmermann (Eds.), Proceedings of the 23rd International Conference on the Physics of Semiconductors, vol. II, World Scientific, Singapore, 1996, p. 859.
22. H.M. Tütüncü, G.P. Srivastava, J. Phys. Chem. Solids 58 (1997) 685.
23. Y.R. Wang, C.B. Duke, Surf. Sci. 205 (1988) L755.
24. D.M. Ceperley, B.J. Alder, Phys. Rev. Lett. 45 (1980) 566.
25. J. Perdew, A. Zunger, Phys. Rev. B 23 (1981) 5048.
26. N. Troullier, J.L. Martins, Phys. Rev. B 43 (1991) 1993.
27. L. Pavesi, P. Giannozzi, F.K. Reinhart, Phys. Rev. B 42 (1990) 1864; W. Andreoni, G. Pastore, R. Car, M. Parrinello, P. Giannozzi, in: R.A. Abram and M. Jaros (Eds.), Band Structure Engineering in Semiconductor Microstructures, vol. 189, NATO Advanced Study Institute, Series B: Physics, Plenum, New York, 1989.
28. L. Pavesi, P. Giannozzi, F.K. Reinhart, Phys. Rev. B 42 (1990) 1864; W. Andreoni, G. Pastore, R. Car, M. Parrinello, P. Giannozzi, in: R.A. Abram and M. Jaros (Eds.), Band Structure Engineering in Semiconductor Microstructures, vol. 189, NATO Advanced Study Institute, Series B: Physics, Plenum, New York, 1989.
29. F.D. Murnaghan, Proc. Nat. Acad. Sci. (USA) 50 (1944) 697.
30. D. Vanderbilt, S.G. Louie, Phys. Rev. B 30 (1984) 6118.
31. Lord Rayleigh, Proc. Lon. Math. Soc. 17 (1887) 4.
32. R. Stoneley, Proc. R. Soc. Lon. A 232 (1955) 447.
33. D.C. Gazis, R. Herman, R.F. Wallis, Phys. Rev. 119 (1960) 533.
34. R. Fuchs, K.L. Kliewer, Phys. Rev. A 140 (1965) 2076.
35. K.L. Kliewer, R. Fuchs, Phys. Rev. 144 (1966) 495.
36. K.L. Kliewer, R. Fuchs, Phys. Rev. 150 (1966) 573.
37. O. Madelung, Landolt-Börnstein (Eds.), Semiconductors: Physics of Group IV Elements and III-V Compounds, New Series, Group III, vol. 17a, Springer, Berlin, 1982; O. Madelung, Landolt-Börnstein (Eds.), Semiconductors: Intrinsic Properties of Group IV Elements and III-V, II-VI, and I-VII Compounds, New Series, Group III, vol. 22a, Springer, Berlin, 1987.
38. O. Madelung, Landolt-Börnstein (Eds.), Semiconductors: Physics of Group IV Elements and III-V Compounds, New Series, Group III, vol. 17a, Springer, Berlin, 1982; O. Madelung, Landolt-Börnstein (Eds.), Semiconductors: Intrinsic Properties of Group IV Elements and III-V, II-VI, and I-VII Compounds, New Series, Group III, vol. 22a, Springer, Berlin, 1987.
39. N.E. Christensen, Phys. Rev. B 37 (1988) 4528.
40. S.-H. Wei, A. Zunger, Phys. Rev. Lett. 59 (1987) 144.
41. A. Continenza, S. Massidda, A.J. Freeman, Phys. Rev. B 38 (1988) 12996.
42. B.I. Min, S. Massidda, A.J. Freeman, Phys. Rev. B 38 (1988) 1970.
43. S. Massidda, A. Continenza, A.J. Freeman, T.M. de Pascale, F. Meloni, M. Serra, Phys. Rev. B 41 (1990) 12079.
44. A.S. Barker, Phys. Rev. 165 (1968) 917.
45. R. Carles, N. Saint-Cricq, J.B. Renucci, A. Zwick, Phys. Rev. B 22 (1980) 566.
46. P.H. Borcherds, K. Kunc, G.F. Alfrey, R.L. Hall, J. Phys. C: Solid State Phys. 12 (1979) 4699.
47. N.S. Orlowa, Phys. Stat. Sol. B 119 (1983) 541.
48. C. Eckl, P. Pavone, J. Fritsch, U. Schröder, in: M. Scheffler, R. Zimmermann (Eds.), Proceedings of the 23rd International Conference on the Physics of Semiconductors, vol. I, World Scientific, Singapore, 1996, p. 229.
49. H. Ibach, in: O. Madelung (Ed.), Dynamische Eigenschaften der Festkörperoberfläche in Festkörperprobleme XI, Advances in Solid State Physics, Vieweg, Braunschweig, 1971.