First-principles calculations of structural, electronic, and thermodynamic properties of Na2 Be H4

Physical Review B - Condensed Matter and Materials Physics

Volumn 76, Issue 14, 2007, Pages

  Hu, C H ^a   Wang, Y M ^a   Chen, D M ^a   Xu, D S ^a   Yang, K ^a  

^a INSTITUTE OF METAL RESEARCH   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 35148837092     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.76.144104     Document Type: Article

References (47)

1. L. Schlapbach and A. Züttel, Nature (London) NATUAS 0028-0836 10.1038/35104634 414, 353 (2001).
2. B. Bogdanovic and M. Schwickardi, J. Alloys Compd. JALCEU 0925-8388 253-254, 1 (1997).
3. A. Zaluska, L. Zaluski, and J. O. Ström-Olsen, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(99)00666-0 298, 125 (2000).
4. K. J. Gross, E. H. Majzoub, and S. W. Spangler, J. Alloys Compd. JALCEU 0925-8388 356-357, 423 (2003).
5. A. Aguayo and D. J. Singh, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.155103 69, 155103 (2004).
6. Z. Lodziana and T. Vegge, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.145501 93, 145501 (2004).
7. J. A. Ritter, A. D. Ebner, J. Wang, and R. Zidan, Mater. Today MTOUAN 1369-7021 10.1016/S1369-7021(03)00921-0 6, 18 (2003).
8. B. M. Bulychev, R. V. Shapanchenko, E. V. Antipov, D. V. Sheptyakov, S. N. Bushmeleva, and A. M. Balagurov, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic049267f 43, 6371 (2004).
9. N. A. Bell and G. E. Coates, J. Chem. Soc. JCSOA9 0368-1769 1965, 692.
10. A. W. Overhauser, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.35.411 35, 411 (1987).
11. L. Pauling, Linus Pauling Research Notebooks, http://osulibrary.orst.edu/ specialcollections/rnb/36/36-099.html
12. Y. Liu and M. L. Cohen, Science SCIEAS 0036-8075 245, 84 (1989).
13. Chun-gang Duan, W. N. Mei, Jianjun Liu, Wei-guo Yin, J. R. Hardy, R. W. Smith, M. J. Mehl, and L. L. Boyer, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.033102 69, 033102 (2004).
14. O. M. Løvvik, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71. 144111 71, 144111 (2005).
15. B. Magyari-Köpe, V. Ozolinš, and C. Wolverton, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.220101 73, 220101 (R) (2006).
16. C. H. Hu, D. M. Chen, Y. M. Wang, D. S. Xu, and K. Yang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.75.224108 75, 224108 (2007).
17. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.41.7892 41, 7892 (1990).
18. M. D. Segall, P. L. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/301 14, 2717 (2002).
19. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46. 6671 46, 6671 (1992).
20. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.45.566 45, 566 (1980).
21. J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
22. T. H. Fischer and J. Almlof, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100203a036 96, 9768 (1992).
23. S. Baroni, S. de Gironcoli, A. dal Corso, and P. Giannozzi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.515 73, 515 (2001).
24. S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, A. Pasquarello, K. Lassonen, A. Trave, R. Car, N. Marzari, and A. Kokalj, http://www.pwscf.org/
25. B. Bertheville, P. Fischer, and K. Yvon, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(00)00688-5 302, L12 (2000).
26. B. Bertheville, P. Fischer, and K. Yvon, J. Alloys Compd. JALCEU 0925-8388 330-332, 152 (2000).
27. P. Seiler, Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 0108-7681 B49, 223 (1993).
28. W. Eysel, H. H. Höfer, K. L. Keester, and Th. Hahn, Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 0108-7681 10.1107/S0108768185001501 41, 5 (1985).
29. A. G. Nord, Acta Chem. Scand. (1947-1973) ACSAA4 0001-5393 27, 814 (1973).
30. A. S. Koster, F. X. N. M. Kools, and G. D. Rieck, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. ACBCAR 0567-7408 10.1107/ S0567740869004602 25, 1704 (1969).
31. P. M. Skarstad and S. Geller, Mater. Res. Bull. MRBUAC 0025-5408 10.1016/0025-5408(75)90193-2 10, 791 (1975).
32. F. S. Galasso, Structure and Properties of Inorganic Solids (Pergamon, New York, 1970).
33. J. Fabry, T. Breczewski, F. J. Zuniga, and A. R. Arnaiz, Acta Crystallogr., Sect. C: Cryst. Struct. Commun. ACSCEE 0108-2701 10.1107/S0108270192009508 49, 946 (1993).
34. E. G. Moroni, G. Kresse, J. Hafner, and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.15629 56, 15629 (1997).
35. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
36. R. M. Martin, Electronic Structure: Basic Theory and Practical Methods (Cambridge University Press, Cambridge, 2004).
37. V. Magnasco, Chem. Phys. Lett. CHPLBC 0009-2614 387, 332 (2004).
38. P. Vajeeston, P. Ravindran, R. Vidya, H. Fjellvåg, and A. Kjekshus, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.212101 68, 212101 (2003).
39. F. Birch, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.71.809 71, 809 (1947).
40. C. H. Hu, D. M. Chen, Y. M. Wang, D. S. Xu, and K. Yang, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/19/17/176205 19, 176205 (2007).
41. J. D. Jorgensen, Z. Hu, S. Teslic, D. N. Argyriou, S. Short, J. S. O. Evans, and A. W. Sleight, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.215 59, 215 (1999).
42. S. Carlson and A. M. K. Andersen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.11209 61, 11209 (2000).
43. A. Savin, R. Nesper, S. Wengert, and T. Fässler, Angew. Chem., Int. Ed. Engl. ACIEAY 0570-0833 36, 1809 (1997).
44. K. Miwa and A. Fukumoto, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.155114 65, 155114 (2002).
45. B. Lorenz, I. Orgzall, P. K. Dorhout, C. C. Raymond, K. Brister, K. Weishaupt, R. D'Adamo, and H. D. Hochheimer, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.2800 55, 2800 (1997).
46. B. Bagautdinov, A. Jobst, J. Ludecke, and S. van Smaalen, Acta Crystallogr., Sect. B: Struct. Sci. ASBSDK 0108-7681 10.1107/S0108768100020322 57, 231 (2001).
47. C. N. R. Rao and K. J. Rao, Phase Transitions in Solids-An Approach to the Study of the Chemistry and Physics of Solids (McGraw-Hill, New York, 1978).