Structural and electronic properties of Ge-Te clusters

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 23, 2003, Pages

  Natarajan, Ramkumar ^a   Öğüt, Serdar ^b  

^a 1120 Science and Engineering Offices   (United States)

^b UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

GERMANIUM; TELLURIUM;

AB INITIO CALCULATION; ARTICLE; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; ELECTRONICS; ENERGY; LIQUID; MOLECULAR DYNAMICS; MOLECULAR STABILITY; SEMICONDUCTOR; STRUCTURE ANALYSIS;

EID: 18744419634     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.235326     Document Type: Article

References (48)

1. M. Jarrold, Science 252, 1085 (1991).
2. B. Hartke, Angew. Chem., Int. Ed. Engl. 41, 1468 (2002).
3. R. Schäfer, S. Schlecht, J. Woenckhaus, and J.A. Becker, Phys. Rev. Lett. 76, 471 (1996).
4. M. Broyer, R. Antoine, E. Benichou, I. Compagnon, P. Dugourd, and D. Rayane, C. R. Phys. (Paris) 3, 301 (2002).
5. P.B. Littlewood and V. Heine, J. Phys. C 12, 4431 (1979).
6. R. E. Peierls, Quantum Theory of Solids (Clarendon, Oxford, 1955), p. 108.
7. J.-P. Gaspard, A. Pellegatti, F. Marinelli, and C. Bichara, Philos. Mag. B 77, 727 (1988).
8. J.Y. Raty, V. Godlevsky, P. Ghosez, C. Bichara, J.P. Gaspard, and J.R. Chelikowsky, Phys. Rev. Lett. 85, 1950 (2000).
9. J.Y. Raty, V.V. Godlevsky, J.P. Gaspard, C. Bichara, M. Bionducci, R. Bellissent, R. Céolin, J.R. Chelikowsky, and Ph. Ghosez, Phys. Rev. B 65, 115205 (2002).
10. L.C. Bálbas, A. Rubio, and J.L. Martins, Z. Phys. D: At., Mol. Clusters 40, 182 (1997).
11. J.R. Chelikowsky, N. Troullier, and Y. Saad, Phys. Rev. Lett. 72, 1240 (1994);
12. J.R. Chelikowsky, N. Troullier, K. Wu, and Y. Saad, Phys. Rev. B 50, 11 355 (1994).
13. N. Troullier and J.L. Martins, Phys. Rev. B 43, 1993 (1991).
14. L. Kleinman and D.M. Bylander, Phys. Rev. Lett. 48, 1425 (1982).
15. S.G. Louie, S. Froyen, and M.L. Cohen, Phys. Rev. B 26, 1738 (1982).
16. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
17. J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
18. N. Binggeli, J.L. Martins, and J.R. Chelikowsky, Phys. Rev. Lett. 68, 2956 (1992).
19. D.F. Shanno and K.-H. Phua, Math. Program. 14, 149 (1978).
20. I. Vasiliev, S. Öğüt, and J.R. Chelikowsky, Phys. Rev. Lett. 78, 4805 (1997).
21. H.A. Kurtz, J.J.P. Stewart, and K.M. Dieter, J. Comput. Chem. 96, 231 (1990);
22. A.A. Quong and M.R. Pederson, Phys. Rev. B 46, 12 906 (1992);
23. Phys. Rev. B I. Moullet, J.L. Martins, F. Reuse, and J. Buttet, 42, 11 598 (1990);
24. Phys. Rev. B D. Porezag and M.R. Pederson, 54, 7830 (1996).
25. J. Hoeft, F.J. Lovas, E. Tiemann, and T. Törring, Z. Naturforsch. A 25, 539 (1970).
26. P.W. Deutsch, L.A. Curtiss, and J.P. Blaudeau, Chem. Phys. Lett. 344, 101 (2001);
27. B.X. Li and P.L. Cao, Phys. Rev. B 62, 15 788 (2000);
28. Phys. Rev. B S. Öğüt and J.R. Chelikowsky, 55, R4914 (1997);
29. P. Ballone, W. Andreoni, R. Car, and M. Parrinello, Phys. Rev. Lett. 60, 271 (1988);
30. R. Fournier, S.B. Sinnott, and A.E. DePristo, J. Chem. Phys. 97, 4149 (1992);
31. J. Chem. Phys. G. Pacchioni and J. Koutecky, 84, 3301 (1986);
32. J. Chem. Phys. K. Raghavachari, 84, 5672 (1986).
33. J.Y. Yi, Chem. Phys. Lett. 325, 269 (2000);
34. P. Piquini, S. Canuto, and A. Fazzio, Nanostruct. Mater. 10, 635 (1998);
35. K.M. Song, A.K. Ray, and P.K. Khowash, J. Phys. B 27, 1637 (1994);
36. W. Andreoni, Phys. Rev. B 45, 4203 (1992);
37. L. Lou, L. Wang, L.P.F. Chibante, R.T. Laaksonen, P. Nordlander, and R.E. Smalley, J. Chem. Phys. 94, 8015 (1991);
38. J. Chem. Phys. L. Lou L. Wang L.P.F. Chibante R.T. Laaksonen P. Nordlander R.E. Smalley 95, 6602 (1991).
39. M.C. Troparevsky and J.R. Chelikowsky, J. Chem. Phys. 114, 943 (2001).
40. P. Deglmann, R. Ahlrichs, and K. Tsereteli, J. Chem. Phys. 116, 1585 (2002);
41. J.M. Matxain, J.E. Fowler, and J.M. Ugalde, Phys. Rev. A 61, 053201 (2000);
42. V.S. Gurin, Int. J. Quantum Chem. 71, 37 (1999).
43. A. Sieck, D. Porezag, Th. Frauenheim, M.R. Pederson, and K. Jackson, Phys. Rev. A 56, 4890 (1997);
44. Phys. Rev. A K. Jackson, M. Pederson, C.Z. Wang, and K.M. Ho, 59, 3685 (1999).
45. L. Kronik, I. Vasiliev, and J.R. Chelikowsky, Phys. Rev. B 62, 9992 (2000).
46. J.A. Becker, S. Schlecht, R. Schäfer, J. Woenckhaus, and F. Hensel, Mater. Sci. Eng., A 127/128, 1 (1996).
47. X. Jing, N. Troullier, J.R. Chelikowsky, K. Wu, and Y. Saad, Solid State Commun. 96, 231 (1995);
48. J.R. Chelikowsky, X. Jing, K. Wu, and Y. Saad, Phys. Rev. B 53, 12 071 (1996).