Density variations in liquid tellurium: Roles of rings, chains, and cavities

Physical Review B - Condensed Matter and Materials Physics

Volumn 81, Issue 9, 2010, Pages

  Akola, J ^a,b,c   Jones, R O ^a,d   Kohara, S ^e   Usuki, T ^f   Bychkov, E ^g  

^a FORSCHUNGSZENTRUM JÜLICH   (Germany)

^b UNIVERSITY OF JYVÄSKYLÄ   (Finland)

^c TAMPERE UNIVERSITY OF TECHNOLOGY   (Finland)

^d RWTH AACHEN UNIVERSITY   (Germany)

^e Institute of Physical and Chemical Research   (Japan)

^f YAMAGATA UNIVERSITY   (Japan)

^g UNIVERSITÉ DU LITTORAL CÔTE D OPALE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77954910351     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.81.094202     Document Type: Article

References (54)

1. Y. Tsuchiya, J. Phys.: Condens. Matter 3, 3163 (1991). 10.1088/0953-8984/3/18/010
2. H. Thurn and J. Ruska, J. Non-Cryst. Solids 22, 331 (1976). 10.1016/0022-3093(76)90063-6
3. H. Kanno, H. Yokohama, and Y. Yoshimura, J. Phys. Chem. B 105, 2019 (2001) 10.1021/jp003639y
4. See also A. Angell, Nat. Nanotechnol. 2, 396 (2007). 10.1038/nnano.2007. 201
5. The situation in water has been surveyed by T. Tokushima, Y. Harada, O. Takahashi, Y. Senba, H. Ohashi, L. G. M. Pettersson, A. Nilsson, and S. Shin, Chem. Phys. Lett. 460, 387 (2008). 10.1016/j.cplett.2008.04.077
6. A. Menelle, R. Bellissent, and A. M. Flank, Europhys. Lett. 4, 705 (1987). 10.1209/0295-5075/4/6/011
7. H. Endo, K. Maruyama, H. Hoshino, and H. Ikemoto, Z. Phys. Chem. 217, 863 (2003), compare several ND pair-correlation functions.
8. C. Bichara, J.-Y. Raty, and J.-P. Gaspard, Phys. Rev. B 53, 206 (1996). 10.1103/PhysRevB.53.206
9. R. Stadler and M. J. Gillan, J. Phys.: Condens. Matter 12, 6053 (2000). 10.1088/0953-8984/12/28/304
10. K. Seifert-Lorenz, G. Kresse, and J. Hafner, J. Non-Cryst. Solids 293-295, 193 (2001). 10.1016/S0022-3093(01)00853-5
11. D. Molina and E. Lomba, Phys. Rev. B 67, 094208 (2003). 10.1103/PhysRevB.67.094208
12. G. Zhao, C. S. Liu, and Z. G. Zhu, J. Phys.: Condens. Matter 20, 335102 (2008). 10.1088/0953-8984/20/33/335102
13. C. Adenis, V. Langer, and O. Lindqvist, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. 45, 941 (1989). 10.1107/S0108270188014453
14. B. Cabane and J. Friedel, J. Phys. (Paris) 32, 73 (1971) 10.1051/jphys:0197100320107300
15. J. R. Magaña and J. S. Lannin, Phys. Rev. Lett. 51, 2398 (1983). 10.1103/PhysRevLett.51.2398
16. J. Hafner, J. Phys.: Condens. Matter 2, 1271 (1990). 10.1088/0953-8984/2/ 5/018
17. M. Misawa, J. Phys.: Condens. Matter 4, 9491 (1992). 10.1088/0953-8984/4/ 48/004
18. K. Maruyama, H. Endo, and H. Hoshino, J. Phys. Soc. Jpn. 77, 034603 (2008), and references therein. 10.1143/JPSJ.77.034603
19. G. Kresse, J. Fürthmüller, and J. Hafner, Phys. Rev. B 50, 13181 (1994). 10.1103/PhysRevB.50.13181
20. Y. Tsuchiya and E. F. W. Seymour, J. Phys. C 18, 4721 (1985). 10.1088/0022-3719/18/24/016
21. M. Matsumoto, Phys. Rev. Lett. 103, 017801 (2009). 10.1103/PhysRevLett. 103.017801
22. M. Isshiki, Y. Ohishi, S. Goto, K. Takeshita, and T. Ishikawa, Nucl. Instrum. Methods Phys. Res. A 467-468, 663 (2001). 10.1016/S0168-9002(01)00441-7
23. S. Kohara, M. Itou, K. Suzuya, Y. Inamura, Y. Sakurai, Y. Ohishi, and M. Takata, J. Phys.: Condens. Matter 19, 506101 (2007). 10.1088/0953-8984/19/50/ 506101
24. S. Sasaki, National Laboratory for High Energy Physics, Japan, KEK Report No. 90-16, 1991 see http://ccdb4fs.kek.jp/cgi-bin/img/allpdf?199024016
25. J. H. Hubbell, Wm. J. Veigele, E. A. Briggs, R. T. Brown, D. T. Cromer, and R. J. Howerton, J. Phys. Chem. Ref. Data 4, 471 (1975). 10.1063/1.555523
26. D. Waasmaier and A. Kirfel, Acta Crystallogr., Sect. A: Found. Crystallogr. 51, 416 (1995). 10.1107/S0108767394013292
27. T. E. Faber and J. M. Ziman, Philos. Mag. 11, 153 (1965). 10.1080/14786436508211931
28. CPMD V3.13 Copyright IBM Corp 1990-2009, Copyright MPI für Festkörperforschung Stuttgart 1997-2001 (http://www.cpmd.org).
29. J. Akola and R. O. Jones, Phys. Rev. B 76, 235201 (2007) 10.1103/PhysRevB.76.235201
30. J. Akola and R. O. Jones, J. Phys.: Condens. Matter 20, 465103 (2008) [Ge 2 Sb 2 Te 5] 10.1088/0953-8984/20/46/465103
31. J. Akola and R. O. Jones, Phys. Rev. Lett. 100, 205502 (2008) [GeTe]. 10.1103/PhysRevLett.100.205502
32. N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991), the valence configuration is 5 s 2 5 p 4. 10.1103/PhysRevB.43.1993
33. J. Kolafa, J. Comput. Chem. 25, 335 (2004). 10.1002/jcc.10385
34. G. J. Martyna, M. L. Klein, and M. Tuckerman, J. Chem. Phys. 97, 2635 (1992). 10.1063/1.463940
35. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
36. J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. 91, 146401 (2003). 10.1103/PhysRevLett.91.146401
37. A. Alavi, J. Kohanoff, M. Parrinello, and D. Frenkel, Phys. Rev. Lett. 73, 2599 (1994). 10.1103/PhysRevLett.73.2599
38. J. P. Perdew, A. Ruzsinszky, G. I. Csonka, O. A. Vydrov, G. E. Scuseria, L. A. Constantin, X. Zhou, and K. Burke, Phys. Rev. Lett. 100, 136406 (2008). 10.1103/PhysRevLett.100.136406
39. A. D. Becke, Phys. Rev. A 38, 3098 (1988). 10.1103/PhysRevA.38.3098
40. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988). 10.1103/PhysRevB.37.785
41. J. Akola and R. O. Jones, Phys. Rev. B 79, 134118 (2009). 10.1103/PhysRevB.79.134118
42. J. Akola and R. O. Jones, Appl. Phys. Lett. 94, 251905 (2009). 10.1063/1.3157166
43. National Bureau of Standards Circular 500, E c from Selected Values of Chemical Thermodynamic Properties, (USGPO, Washington, D.C, 1952), p. 49.
44. J. Akola and R. O. Jones (unpublished).
45. S. Caravati, M. Bernasconi, and M. Parrinello, Phys. Rev. B 81, 014201 (2010). 10.1103/PhysRevB.81.014201
46. M. W. Mahoney and W. L. Jorgensen, J. Chem. Phys. 112, 8910 (2000). 10.1063/1.481505
47. See, for example, J. R. Errington and P. G. Debenedetti, Nature (London) 409, 318 (2001). 10.1038/35053024
48. A. Axmann, W. Gissler, A. Kolmar, and T. Springer, Discuss. Faraday Soc. 50, 74 (1970). 10.1039/df9705000074
49. K. S. Singwi and A. Sjölander, Phys. Rev. 119, 863 (1960). 10.1103/PhysRev.119.863
50. D. H. Kurlat, C. Potard, and P. Hicter, Phys. Chem. Liq. 4, 183 (1974). 10.1080/00319107408084284
51. R. Kubo, J. Phys. Soc. Jpn. 12, 570 (1957) 10.1143/JPSJ.12.570
52. D. A. Greenwood, Proc. Phys. Soc. London 71, 585 (1958). 10.1088/0370-1328/71/4/306
53. V. N. Staroverov, G. E. Scuseria, J. Tao, and J. P. Perdew, Phys. Rev. B 69, 075102 (2004). 10.1103/PhysRevB.69.075102
54. J. Akola, R. O. Jones, S. Kohara, S. Kimura, K. Kobayashi, M. Takata, T. Matsunaga, R. Kojima, and N. Yamada, Phys. Rev. B 80, 020201 (R) (2009). 10.1103/PhysRevB.80.020201