ZnSe GaAs(001) heterostructures with defected interfaces: Structural, thermodynamic, and electronic properties

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 24, 2005, Pages

  Stroppa, A ^a,b   Peressi, M ^a,b  

^a UNIVERSITY OF TRIESTE   (Italy)

^b DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29644436001     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.245304     Document Type: Article

References (42)

1. O. Schulz, M. Strassburg, T. Rissom, S. Rodt, L. Reissmann, U. W. Pohl, D. Bimberg, M. Klude, D. Hommel, S. Itoh, and K. Nakano, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/1521-3951(200201)229:2<943::AID-PSSB943>3.0.CO;2- 7 229, 943 (2002), and references therein.
2. I. Malajovich, J. J. Berry, N. Samarth, and D. D. Awschalom, Nature (London) NATUAS 0028-0836 10.1038/35081014 411, 770 (2001).
3. S. A. Wolf, D. D. Awschalom, R. A. Buhrman, J. M. Daughton, S. von Molnar, M. L. Roukes, A. Y. Chtchelkanova, and D. M. Treger, Science SCIEAS 0036-8075 10.1126/science.1065389 294, 1488 (2001).
4. P. Grabs, G. Richter, R. Fiederling, C. R. Becker, W. Ossau, G. Schmidt, L. W. Molenkamp, W. Weigand, E. Umbach, I. V. Sedova, and S. V. Ivanov, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1477933 80, 3766 (2002), and references therein.
5. J. S. Song, D. C. Oh, H. Makino, T. Hanada, M. W. Cho, T. Yao, Y.-G. Park, D. Shindo, and J. H. Chang, J. Vac. Sci. Technol. B JVTBD9 0734-211X 10.1116/1.1651555 22, 607 (2004).
6. A. Colli, E. Pelucchi, and A. Franciosi, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1589195 83, 81 (2003).
7. A. Colli, E. Carlino, E. Pelucchi, V. Grillo, and A. Franciosi, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1769102 96, 2592 (2004).
8. D. Li, J. M. Gonsalves, N. Otsuka, J. Qiu, M. Kobayashi, and R. L. Gunshor, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.103662 57, 449 (1990).
9. T. Okamoto, T. Takegami, A. Yamada, and M. Konagai, Jpn. J. Appl. Phys., Part 1 JAPNDE 0021-4922 34, 5984 (1995).
10. L. H. Kuo, K. Kimura, A. Ohtake, S. Miwa, T. Yasuda, and T. Yao, J. Vac. Sci. Technol. B JVTBD9 0734-211X 10.1116/1.589445 15, 1241 (1997).
11. T. Ohta, D. A. Schmidt, S. Meng, A. Klust, A. Bostwick, Q. Yu, M. A. Olmstead, and F. S. Ohuchi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.94.116102 94, 116102 (2005).
12. W. A. Harrison, E. A. Kraut, J. R. Waldrop, and R. W. Grant, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.18.4402 18, 4402 (1978).
13. R. M. Martin, J. Vac. Sci. Technol. JVSTAL 0022-5355 10.1116/1.570651 17, 978 (1980).
14. G. Bratina, L. Vanzetti, L. Sorba, G. Biasiol, A. Franciosi, M. Peressi, and S. Baroni, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.11723 50, 11723 (1994).
15. R. Nicolini, L. Vanzetti, G. Mula, G. Bratina, L. Sorba, A. Franciosi, M. Peressi, S. Baroni, R. Resta, A. Baldereschi, J. E. Angelo, and W. W. Gerberich, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.294 72, 294 (1994).
16. R. G. Dandrea, S. Froyen, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.42.3213 42, 3213 (1990).
17. A. Kley and J. Neugebauer, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.8616 50, 8616 (1994).
18. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
19. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
20. S. Baroni, A. Dal Corso, S. de Gironcoli, and P. Giannozzi, http://www.pwscf.org.
21. R. Blachnik and O. Madelung, in Numerical Data and Functional Relationships in Science and Technology, edited by, O. Madelung,,, M. Schulz,, and, H. Weiss,, Landolt-Börnstein, New Series, Group X, Vol. 17, Pt. (Springer, New York, 1982);
22. H. E. Gumlich, D. Theis, and D. Tschierse, ibid., Pt..
23. For the optimization of atomic position we require Hellmann-Feynman forces smaller then 0.02eV-1.
24. G. X. Qian, R. M. Martin, and D. J. Chadi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.37.1303 37, 1303 (1988).
25. J. Donohue, The Structures of the Elements (Wiley, New York, 1974).
26. C. L. Fu and K. M. Ho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.28. 5480 28, 5480 (1983).
27. F. Bechstedt and R. Enderlein, Semiconductor Surfaces and Interfaces (Akademie Verlag, Berlin, 1988).
28. L. G. Wang and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.125211 68, 125211 (2003).
29. W. G. Schmidt and F. Bechstedt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.16742 54, 16742 (1996).
30. G.-X. Qian, R. M. Martin, and D. J. Chadi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.60.1962 60, 1962 (1988).
31. T. Ohno, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.70.631 70, 631 (1993).
32. The condition must be strictly expressed in terms of ionic charges, since the electronic screening is not completely achieved within the interface region.
33. M. Peressi, N. Binggeli, and A. Baldereschi, J. Phys. D JPAPBE 0022-3727 10.1088/0022-3727/31/11/002 31, 1273 (1998).
34. W. R. L. Lambrecht, C. Amador, and B. Segall, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.68.1363 68, 1363 (1992).
35. S. Gundel, W. Spahn, W. Faschinger, and G. Landwehr, J. Cryst. Growth JCRGAE 0022-0248 184/185, 80 (1998).
36. H. H. Farrel and Randall A. LaViolette, J. Vac. Sci. Technol. B JVTBD9 0734-211X 10.1116/1.1773842 22, 2250 (2004).
37. M. Peressi, F. Favot, G. Cangiani, and A. Baldereschi, Appl. Phys. Lett. APPLAB 0003-6951 10.1063/1.1532555 81, 5171 (2002).
38. S. Kumar, S. N. Jha, Jagannath, T. Ganuli, S. V. B. Bhaskara Rao, and N. C. Das, Appl. Surf. Sci. ASUSEE 0169-4332 229, 324 (2004).
39. M. Funato, S. Aoki, and S. Fujita, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.369280 85, 1514 (1999).
40. A. Franciosi and C. G. VandeWalle, Surf. Sci. Rep. SSREDI 0167-5729 10.1016/S0167-5729(96)00006-4 25, 1 (1996).
41. M. Peressi, L. Colombo, R. Resta, S. Baroni, and A. Baldereschi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.48.12047 48, 12047 (1993).
42. O. Madelung, in Semiconductors: Data Handbook, 3rd ed. (Springer, Berlin, 2004).