(MnH9)2- salts with high hydrogen contents and unusual bonding: Density functional calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 80, Issue 23, 2009, Pages

  Gupta, Michèle ^a   Gupta, Raju P ^b   Singh, D J ^c  

^a UNIVERSITÉ PARIS SACLAY   (France)

^b SERVICE DE RECHERCHES DE MÉTALLURGIE PHYSIQUE   (France)

^c OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77954720097     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.80.235103     Document Type: Article

References (26)

1. L. Schlapbach and A. Zuttel, Nature (London) 414, 353 (2001). 10.1038/35104634
2. G. W. Crabtree, M. S. Dresselhaus, and M. V. Buchanan, Phys. Today 57 (12), 39 (2004). 10.1063/1.1878333
3. A. Cho, Science 305, 964 (2004). 10.1126/science.305.5686.964
4. Hydrogen in Intermetallic Compounds I: Electronic, Thermodynamic, and Crystallographic Properties, Topics in Applied Physics, edited by, L. Schlapbach, (Springer-Verlag, Berlin, 1988), Vol. 63.
5. Hydrogen in Metals III: Properties and Applications, Topics in Applied Physics, edited by, H. Wipf, (Springer-Verlag, Berlin, 1997), Vol. 73. 10.1007/BFb0103398
6. B. Bogdanovic and M. Schwickardi, J. Alloys Compd. 253-254, 1 (1997). 10.1016/S0925-8388(96)03049-6
7. P. Chen, Z. Xiong, J. Luo, J. Lin, and K. L. Tan, Nature (London) 420, 302 (2002). 10.1038/nature01210
8. K. Knox and A. P. Ginsberg, Inorg. Chem. 3, 555 (1964). 10.1021/ic50014a025
9. S. C. Abrahams, A. P. Ginsberg, and K. Knox, Inorg. Chem. 3, 558 (1964). 10.1021/ic50014a026
10. A. P. Ginsberg, Inorg. Chem. 3, 567 (1964). 10.1021/ic50014a027
11. A. P. Ginsberg and C. R. Sprinkle, Inorg. Chem. 8, 2212 (1969). 10.1021/ic50080a037
12. N. T. Stetson, K. Yvon, and P. Fischer, Inorg. Chem. 33, 4598 (1994). 10.1021/ic00098a032
13. N. T. Stetson and K. Yvon, J. Alloys Compd. 223, L4 (1995). 10.1016/0925-8388(95)01550-7
14. W. Bronger, L. à Brassard, P. Muller, B. Lebech, and T. Schultz, Z. Anorg. Allg. Chem. 625, 1143 (1999). 10.1002/(SICI)1521-3749(199907)625: 7<1143::AID-ZAAC1143>3.0.CO;2-V
15. L. Pauling, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 34, 746 (1978). 10.1107/S0567740878003994
16. M. Gupta, R. P. Gupta, and D. J. Singh, Phys. Rev. Lett. 95, 056403 (2005). 10.1103/PhysRevLett.95.056403
17. M. Gupta, R. P. Gupta, and D. J. Singh, Phys. Rev. B 78, 153104 (2008). 10.1103/PhysRevB.78.153104
18. D. J. Singh, M. Gupta, and R. Gupta, Phys. Rev. B 75, 035103 (2007). 10.1103/PhysRevB.75.035103
19. G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993). 10.1103/PhysRevB.48.13115
20. G. Kresse and J. Furthmuller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
21. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
22. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
23. C. Wolverton, V. Ozolins, and M. Asta, Phys. Rev. B 69, 144109 (2004). 10.1103/PhysRevB.69.144109
24. L. G. Hector, Jr., J. F. Herbst, W. Wolf, P. Saxe, and G. Kresse, Phys. Rev. B 76, 014121 (2007). 10.1103/PhysRevB.76.014121
25. E. Rönnebro, D. Kyoi, A. Kitano, Y. Kitano, and T. Sakai, J. Alloys Compd. 404-406, 68 (2005). 10.1016/j.jallcom.2005.03.106
26. X. Xiao, W. Zhang, W. Yu, N. Wang, and B. Tang, Physica B 404, 2234 (2009). 10.1016/j.physb.2009.04.013