Accurate heat of formation for fully hydrided LaNi5 via the all-electron full-potential linearized augmented plane wave approach

Journal of Applied Physics

Volumn 102, Issue 3, 2007, Pages

  Zhao, Yu Jun ^a   Freeman, A J ^b  

^a SOUTH CHINA UNIVERSITY OF TECHNOLOGY   (China)

^b NORTHWESTERN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; HEATING; HYDRIDES; HYDROGEN STORAGE; LOCAL DENSITY APPROXIMATION;

AUGMENTED PLANE WAVES; GENERALIZED GRADIENT APPROXIMATION (GGA); LINEARIZED AUGMENTED PLANE WAVES; TOTAL ENERGY METHODS;

LANTHANUM COMPOUNDS;

EID: 34548036518     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2767200     Document Type: Article

References (14)

1. Doped Carbon Nanotubes for Hydrogen Storage, Proceeding of the 2001 DOE Hydrogen Program Review, NREL, Golden, CO, 2001.
2. P. Dantzer, Hydrogen in Metals III, Topics in Applied Physics (CRC Press, Boca Raton, FL, 1997), Vol. 73.
3. K. Miwa and A. Fukumoto, Phys. Rev. B 0163-1829 10.1103/PhysRevB.65. 155114 65, 155114 (2002).
4. W. N. Hubbard, P. L. Rawlins, P. A. Connick, R. E. Stedwell, and P. A. G. O'hare, J. Chem. Thermodyn. 15, 785 (1983).
5. J. J. Murray, M. L. Post, and J. B. Taylor, J. Less-Common Met. 80, 211 (1981).
6. H. Nakamura, D. Nguyen-Manh, and D. G. Pettifor, J. Alloys Compd. 0925-8388 10.1016/S0925-8388(98)00794-4 281, 81 (1998).
7. K. Tatsumi, I. Tanaka, H. Inui, K. Tanaka, M. Yamaguchi, and H. Adachi, Phys. Rev. B 0163-1829 10.1103/PhysRevB.64.184105 64, 184105 (2001).
8. L. Hector, Jr., J. Herbst, and T. W. Capehart, J. Alloys Comp. 353, 74 (2003). 0163-1829
9. Handbook on the Physics and Chemistry of Rare Earths, edited by, K. Gschneidner, Jr,. and, L. Eyring, (North-Holland, Amsterdam, 1984), Vol. 6.
10. E. Wimmer, H. Krakauer, M. Weinert, and A. J. Freeman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.24.864 24, 864 (1981).
11. L. Hedin and B. I. Lundqvist, J. Phys. C 0022-3719 10.1088/0022-3719/4/ 14/022 4, 2064 (1971).
12. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
13. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976).
14. A. Szabó and N. Ostlund, Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory (Macmillan, New York, 1982).