Original Paper
Stable Structures for Ge10 Cluster and Comparative Study with Si10 Cluster
Bao-Xing Li,
Pei-Lin Cao,
Bao-Xing Li
Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang 310027, China
Search for more papers by this authorPei-Lin Cao
Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang 310027, China
Search for more papers by this authorBao-Xing Li,
Pei-Lin Cao,
Bao-Xing Li
Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang 310027, China
Search for more papers by this authorPei-Lin Cao
Department of Physics and State Key Laboratory of Silicon Material, Zhejiang University, Hangzhou, Zhejiang 310027, China
Search for more papers by this authorFirst published: 14 June 2000
Citations: 8
Abstract
Full-potential linear-muffin-tin-orbital molecular-dynamics (FP-LMTO MD) calculations have been performed to investigate the structures and energies of small cluster Ge10. We get twenty three stable structures for Ge10. The results suggest that only five structures are stable among the six structures proposed before, the remainder undergoes a distortion to another more stable form. Making comparison with the structures of Si10 cluster, we find that there are much in common between them. But their ground state structures are different.
References
- [1] M.F. Jarrold, Science 252 1085 (1991).
- [2] M.F. Jarrold, J. Phys. Chem. 99 11 (1995).
- [3] K. Fuke, K. Tsukamoto, F. Misaizu, and M. Sanekata, J. Chem. Phys. 99 7807 (1993).
- [4] C.C. Arnold and D.M. Neumark, J. Chem. Phys. 100 1797 (1994).
- [5] K. Raghavachari and V. Logovinsky, Phys. Rev. Lett. 55 2853 (1985).
- [6] K. Raghavachari, J. Chem. Phys. 83 3520 (1985).
- [7] K. Raghavachari, J. Chem. Phys. 84 5672 (1986).
- [8] K. Raghavachari and C.M. Rohlfing, J. Chem. Phys. 89 2219 (1988).
- [9] C.M. Rohlfing and K. Raghavachari, Chem. Phys. Lett. 167 559 (1990).
- [10] K. Raghavachari and C.M. Rohlfing, Chem. Phys. Lett. 143 428 (1988).
- [11] K. Raghavachari and C.M. Rohlfing, J. Chem. Phys. 94 3670 (1991).
- [12] C.M. Rohlfing and K. Raghavachari, J. Chem. Phys., 96 2114 (1992).
- [13] J.L. Mercer and M.Y. Chou, Phys. Rev. B 49 8506 (1994).
- [14] P. Ordejon, D. Lebedenko, and M. Menon, Phys. Rev. B 50 5645 (1994).
- [15] H.J. Nolte and K. Jug, J. Chem. Phys. 93 2584 (1990).
- [16] P. Ballone, W. Anderoni, R. Car, and M. Parrinello, Phys. Rev. Lett. 60 271 (1988).
- [17] R. Kishi, S. Lwata, A. Nakajima, and K. Kaya, J. Chem. Phys. 107 3056 (1997).
- [18] R. Kishi, Y. Negishi, H. Kawamata, S. Lwata, A. Nakajima, and K. Kaya, J. Chem. Phys. 108 8039 (1998).
- [19] W. von Niessen and V.G. Zakrzewski, J. Chem. Phys. 98 1271 (1993).
- [20] N. Binggeli and J.R. Chelikowsky, Phys. Rev. Lett. 75 493 (1995).
- [21] R. Kishi, M. Gomei, A. Nakajima, S. Iwata, and K. Kaya, J. Chem. Phys. 104 8593 (1996).
- [22] E. Kaxiras, Chem. Phys. Lett. 163 323 (1989).
- [23] M.F. Jarrold, U. Ray, and K.M. Creegan, J. Chem. Phys. 93 224 (1990).
- [24] U. Ray and M.F. Jarrold, J. Chem. Phys. 94 2631 (1991).
- [25] J.M. Alford, R.T. Laaksonen, and R.E. Smalley, J. Chem. Phys. 94 2618 (1991).
- [26] A. Bahel and M.V. Ramakrishna, Phys. Rev. B 51 13849 (1995).
- [27] G. Pacchioni and J. Koutecky, J. Chem. Phys. 84 3301 (1986).
- [28] D.A. Dixon and J.L. Gole, Chem. Phys. Lett. 188 188 (1992).
- [29] J.E. Northrup and M.L. Cohen, Chem. Phys. Lett. 102 440 (1983).
- [30] J. Andzelm, N. Russo, and D.R. Salahub, J. Chem. Phys. 87 6562 (1987).
- [31] D. Dai and K. Balasubramanian, J. Chem. Phys. 96 8345 (1992).
- [32] D. Dai, K. Sumathi, and K. Balasubramanian, Chem. Phys. Lett. 193 251 (1992).
- [33] J.C. Phillips, J. Chem. Phys. 87 1712 (1987).
- [34] Y. Liu, Q.L. Zhang, F.K. Tittel, R.F. Curl, and R.E. Smalley, J. Chem. Phys. 85 7434 (1986).
- [35] S. Saito, S. Ohnishi, and S. Sugano, Phys. Rev. B 33 7036 (1986).
- [36] G.R. Burton, C. Xu, C.C. Arnold, and D.M. Neumark, J. Chem. Phys. 104 2757 (1996).
- [37] G.A. Antonio, B.P. Feuston, R.K. Kalia, and P. Vashishta, J. Chem. Phys. 88 7671 (1988).
- [38] L.A. Bloomfield, R.R. Freeman, and W.L. Brown, Phys. Rev. Lett. 54 2246 (1985).
- [39] J.C. Phillips, J. Chem. Phys. 85 5246 (1986).
- [40] Q.L. Zhang, Y. Liu, R.F. Curl, F.K. Tittel, and R.E. Smalley, J. Chem. Phys. 88 1670 (1988).
- [41] J.R. Heath, Y. Liu, S.C. O'Brien, Q. Zhang, R.F. Curl, F.K. Tittel, and R.E. Smalley, J. Chem. Phys. 83 5520 (1985).
- [42] O. Cheshnovsky, S.H. Yang, C.L. Pettiette, M.J. Craycraft, Y. Liu, and R.E. Smalley, Chem. Phys. Lett. 138 119 (1987).
- [43] S. Ogut and J.R. Chelikowsky, Phys. Rev. B 55 R4914 (1997).
- [44] B.X. Li, M. Jiang, and P.L. Cao, phys. stat. sol. (b) 218 399 (2000).
- [45] M. Methfessel and M.V. Schilfgaarde, Internat. J. Mod. Phys. B 7 262 (1993).
- [46] M. Methfessel and M.V. Schilfgaarde, Phys. Rev. B 48 4937 (1993).
- [47] M. Methfessel, Phys. Rev. B 38 1537 (1988).
- [48] M. Methfessel, C.O. Rodriguez, and O.K. Andersen, Phys. Rev. B 40 2009 (1989).
- [49] W. Kohn and L.J. Sham, Phys. Rev. 140 A1133 (1965).
- [50] O.K. Andersen, Phys. Rev. B 12 3060 (1975).
- [51] B.X. Li, M. Qiu, and P.L. Cao, Phys. Lett. A 256 386 (1999).
- [52] B.X. Li and P.L. Cao, Phys. Rev. B 60 1 (1999).
- [53] B.X. Li, P.L. Cao, and D.L. Que, J. Phys.: Condensed Matter 11 8517 (1999).
- [54] M. Qiu, X.Y. Zhou, M. Jiang, and P.L. Cao, J. Phys.: Condensed Matter 10 7743 (1998).
- [55] M. Qiu, X.Y. Zhou, M. Jiang, and P.L. Cao, Phys. Lett. A 245 430 (1998).
- [56] M. Qiu, P.L. Cao, and D.L. Que, Surf. Sci. 395 260 (1998).
- [57] M. Qiu, L.Q. Lee, P.L. Cao, and D.L. Que, J. Phys.: Condensed Matter 9 6543 (1997).
- [58] M. Qiu, M. Jiang, Y.J. Zhao, and P.L. Cao, J. Chem. Phys. 110 10738 (1999).
- [59] M.F. Jarrold, Y. Ijiri, and U. Ray, J. Chem. Phys. 94 3607 (1991).
- [60] W.R. Creasy, A. O'Keefe, and J.R. McDonald, J. Phys. Chem. 91 2848 (1987).
- [61] C.H. Patterson and R.P. Messmer, Phys. Rev. B 42 7530 (1990).
- [62] R.P. Messmer and C.H. Patterson, Chem. Phys. Lett. 192 277 (1992).
- [63] K. Raghavachari and C.M. Rohlfing, Chem. Phys. Lett. 198 521 (1992).
- [64] B.X. Li and P.L. Cao, to be submitted for publication.
- [65] K. Ding and H.C. Andersen, Phys. Rev. B 34 6987 (1986).
