Quantum size effects on the (0001) surface of double hexagonal close packed americium

European Physical Journal B

Volumn 55, Issue 1, 2007, Pages 13-22

  Gao, D ^a,b   Ray, A K ^a  

^a UNIVERSITY OF TEXAS AT ARLINGTON   (United States)

^b IDAHO NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

QUANTUM SIZE EFFECTS; SPIN ORBIT COUPLING; WORK FUNCTIONS;

AMERICIUM; COMPUTATIONAL GEOMETRY; CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; ELECTRONS; PROBABILITY DENSITY FUNCTION;

QUANTUM THEORY;

EID: 33847222189     PISSN: 14346028     EISSN: 14346036     Source Type: Journal    
DOI: 10.1140/epjb/e2007-00031-9     Document Type: Article

References (83)

1. J.J. Katz, G.T. Seaborg, L.R. Morss, The Chemistry of the Actiniae Elements (Chapman and Hall, 1986);
2. Transuranium Elements: A Half Century edited by L.R. Morss, J. Fuger (American Chemical Society, Washington, D.C., 1992);
3. L.R. Morss, N.M. Edelstein, J. Fuger, Chemistry of the Actinide and Transactinide, Elements edited by J.J. Katz, Hon. Ed. (Springer, New York, 2006)
4. Challenges in Plutonium Science, Vols. I and II, Los Alamos Science, 26 (2000)
5. R. Haire, S. Heathman, M. Idiri, T. Le Bihan, A. Lindbaum, Nuclear Materials Technology/Los Alamos National Laboratory, 3rd/4th quarter 2003, p. 23
6. Fifty Years with Transuranium Elements, Proceedings of the Robert A. Welch Foundation, October 22-23, 1990, Houston, Texas
7. Actinides 2005 - Basic Science, Applications, and Technology, Materials Research Society Symposium Proceedings 893 (2006)
8. G.T. Seaborg, W.D. Loveland, The Elements beyond Uranium (John Wiley & Sons, Inc. 1990), p. 17
9. S. Heathman, R.G. Haire, T. Le Bihan, A. Lindbaum, K. Litfin, Y. Méresse, H. Libotte, Phys. Rev. Lett. 85, 2961 (2000)
10. G.H. Lander, J. Fuger, Endeavour 13, 8 (1989)
11. A.J. Freeman, D.D. Koelling, in The Actinides: Electronic Structure and Related Properties, edited by A.J. Freeman, J.B. Darby, Jr (Academic, New York, 1974)
12. B. Johansson, Phys. Rev. B 11, 2740 (1975)
13. H.L. Skriver, O.K. Andersen, B. Johansson, Phys. Rev. Lett. 41, 42 (1978)
14. J.R. Naegele, L. Manes, J.C. Spirlet, W. Müller, Phys. Rev. Lett. 52, 1834 (1984)
15. A. Lindbaum, S. Heathman, K. Litfin, Y. Méresse, Phys. Rev. B 63, 214101 (2001)
16. M. Pénicaud, J. Phys. Cond. Matt. 14, 3575 (2002);
17. M. Pénicaud, J. Phys. Cond. Matt. 17, 257 (2005)
18. S.Y. Savrasov, K. Haule, G. Kotliar, Phys. Rev. Lett. 96, 036404 (2006)
19. P. Sõderlind, R. Ahuja, O. Eriksson, B. Johansson, J.M. Wills, Phys. Rev. B. 61, 8119 (2000);
20. P. Söderlind, A. Landa, Phys. Rev. B. 72, 024109 (2005)
21. P.G. Huray, S.E. Nave, R.G. Haire, J. Less-Com. Met. 93, 293 (1983)
22. T. Gouder, P.M. Oppeneer, F. Huber, F. Wastin, J. Rebizant, Phys. Rev. B 72, 115122 (2005);
23. L.E. Cox, J.W. Ward, R.G. Haire, Phys. Rev. B 45, 13239 (1992)
24. D. Gao, A.K. Ray, Eur. Phys. J. B 50, 497 (2006);
25. D. Gao, A.K. Ray, MRS Fall 2005 Symp. Proc. 893, 39 (2006);
26. D. Gao, A.K. Ray, Surf. Sci. 600, 4941 (2006)
27. O. Eriksson, J.M. Wills, Phys. Rev. B 45, 3198 (1992)
28. A.L. Kutepov, S.G. Kutepova, J. Magn. Magn. Mat. 272-276, e329 (2004)
29. A. Shick, L. Havela, J. Kolorenc, V. Drchal, T. Gouder, P.M. Oppeneer, Phys. Rev. B 73, 104415 (2006)
30. S.Y. Savrasov, G. Kotliar, E. Abrahams, Nature 410, 793 (2001);
31. G. Kotliar, D. Vollhardt, Phys. Today 57, 53 (2004);
32. X. Dai, S.Y. Savrasov, G. Kotliar, A. Migliori, H. Ledbetter, E. Abrahams, Science 300, 953 (2003);
33. B. Johansson, Phys. Rev. B 11, 2740 (1975)
34. B. Johansson, A. Rosengren, Phys. Rev. B 11, 2836 (1975)
35. J.L. Smith, R.G. Haire, Science 200, 535 (1978)
36. J.C. Griveau, J. Rebizant, G.H. Lander, G. Kotliar, Phys. Rev. Lett. 94, 097002 (2005)
37. X. Wu, Density Functional Theory Applied to d- and f- Electron Systems, Ph.D. Dissertation, The University of Texas at Arlington, 2001;
38. X. Wu, A.K. Ray, Phys. Rev. B 72, 045115 (2005);
39. A.K. Ray, J.C. Boettger, Phys. Rev. B 70, 085418 (2004);
40. J.C. Boettger, A.K. Ray, Int. J. Quant. Chem. 105, 564 (2005);
41. M.N. Huda, A Relativistic Density Functional Study of The Role of 5f electrons in Atomic and Molecular Adsorptions on Actinide Surfaces, Ph.D. Dissertation, The University of Texas at Arlington, 2004;
42. M.N. Huda, A.K. Ray, Eur. Phys. J. B 40, 337 (2004);
43. M.N. Huda, A.K. Ray, Physica B 352, 5 (2004);
44. M.N. Huda, A.K. Ray, Eur. Phys. J. B 43, 131 (2005);
45. M.N. Huda, A.K. Ray, Physica B 366, 95 (2005);
46. M.N. Huda, A.K. Ray, Phys. Rev. B 72, 085101 (2005);
47. M.N. Huda, A.K. Ray, Int. J. Quant. Chem. 105, 280 (2005);
48. H.R. Gong, A.K. Ray, Eur. Phys. J. B 48, 409 (2005);
49. H.R. Gong, A.K. Ray, MRS Fall 2005 Symp. Proc. 893, 45 (2006);
50. H.R. Gong, A.K. Ray, Surf. Sci. 600, 2231 (2006)
51. E.K. Schulte, Surf. Sci. 55, 427 (1976)
52. P.J. Feibelman, Phys. Rev. B 27, 1991 (1982)
53. E.E. Mola, J.L. Vicente, J. Chem. Phys. 84, 2876 (1986)
54. I.P. Bartra, S. Ciraci, G.P. Srivastava, J.S. Nelson, C.Y. Fong, Phys. Rev. B 34, 8246 (1986)
55. J.C. Boettger, S.B. Trickey, Phys. Rev. B 45, 1363 (1992);
56. J.C. Boettger, Phys. Rev. B 53, 13133 (1996)
57. C.M. Wei, M.Y. Chou, Phys. Rev. B 66, 233408 (2002)
58. D.J. Singh, Plane waves, Pseudopotential and the LAPW Method (Kluwer, Dordrecht, 1994)
59. E. Stjõstedt, L. Nordstrõm, D.J. Singh, Sol. St. Comm. 114, 15 (2000)
60. P. Blaha, K. Schwarz, P.I. Sorantin, S.B. Trickey, Comp. Phys. Comm. 59, 399 (1990);
61. M. Petersen, F. Wagner, L. Hufnagel, M. Scheffler, P. Blaha, K. Schwarz, Comp. Phys. Comm. 126, 294 (2000);
62. K. Schwarz, P. Blaha, G.K.H. Madsen, Comp. Phys. Comm. 147, 71 (2002)
63. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996);
64. J.P. Perdew, K. Burke, Y. Wang, Phys. Rev. B 54, 16533 (1996);
65. J.P. Perdew in Electronic Structure of Solids, edited by Ziesche, H. Eschrig (Akademie Verlag, Berlin, 1991)
66. P. Hohenberg, W. Kohn, Phys. Rev. 136, B864 (1964);
67. W. Kohn, L.J. Sham, Phys. Rev. 140, A1133 (1965);
68. Density Functional Theory for Many Fermion Systems edited by S.B. Trickey (Academic, San Diego, 1990);
69. R.M. Dreialer, E.K.U. Gross, Density Functional Theory: An Approach to Quantum Many Body Problem (Springer, Berlin, 1990);
70. Electronic Density Functional Theory Recent Progress and New Directions, edited by J.F. Dobson, G. Vignale, M.P. Das (Plenum, New York, 1998)
71. P.E. Blöchl, O. Jepsen, O.K. Andersen, Phys. Rev. B 49, 16223 (1994)
72. G.K.H. Madsen, P. Blaha, K. Schwarz, E. Sjostedt, L. Nordstrom, Phys. Rev. B 64, 195134 (2001)
73. D.D. Koelling, B.N. Harmon, J. Phys. C: Sol. St. Phys. 10, 3107 (1977)
74. A.H. MacDonnald, W.E. Picket, D.D. Koelling, J. Phys. C: Sol. St. Phys. 13, 2675 (1980)
75. P. Novak, $WIENROOT/SRC/novak_lecture_on_spinorbit.ps (WIEN2K)
76. R.W.G. Wyckoff, Crystal Structures (Wiley, New York, 1963), Vol. 1
77. F.D. Murnaghan, Proc. Natl. Acad. Sci. USA 30, 244 (1944)
78. D.M. Teter, G. V. Gibbs, M.B. Boisen, Jr, D.C. Allan, M.P. Teter, Phys. Rev. B 52, 8064 (1995)
79. J.G. Gay, J.R. Smith, R. Richter, F.J. Arlinghaus, R.H. Wagoner, J. Vac. Sci. Tech. A 2, 931 (1984)
80. J.C. Boettger, Phys. Rev. B 49, 16798 (1994)
81. V. Fiorentini, M. Methfessel, J. Phys. Cond. Matt. 8, 6525 (1996)
82. C.J. Fall, N. Binggeli, A. Baldereschi, J. Phys. Cond. Matt. 11, 2689 (1999)
83. U. Benedict Handbook on the Physics and Chemistry of the Actinides, edited by A.J. Freeman, G.H. Lander (Amsterdam, North-Holland, 1987), Vol. 5