Structural stability and magnetism of metastable Ni-Pt intermetallic compounds studied by ab initio calculation

Science in China, Series E: Technological Sciences

Volumn 52, Issue 9, 2009, Pages 2681-2687

  Che, Xinglai ^a   Li, Jiahao ^a   Dai, Ye ^a   Liu, Baixin ^a  

^a TSINGHUA UNIVERSITY   (China)

Author keywords

Ab initio study; Magnetism; Metastable phases

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO STUDY; CRYSTALLINE STRUCTURE; ELECTRONIC STRUCTURE CALCULATIONS; EXPERIMENTAL OBSERVATION; INTERMETALLIC COMPOUNDS; STRUCTURAL STABILITIES; THEORY PREDICTIONS; WAVE METHOD;

ELECTRONIC STRUCTURE; NICKEL; PLATINUM; SEMICONDUCTING INTERMETALLICS; STABILITY;

METASTABLE PHASES;

EID: 68749085955     PISSN: 10069321     EISSN: 1862281X     Source Type: Journal    
DOI: 10.1007/s11431-009-0167-4     Document Type: Article

References (32)

1. J. Beille D. Bloch R. Kuentzler 1974 Specific-heat experiments and critical concentration for ferromagnetism in nickel-platinum alloys Solid State Commun 14 963 966
2. Y. Nakai I. Tomeno J. Akimitsu 1979 Magnetic form-factor of Ni-Pt alloy system J Phys Soc Jpn 47 1821 1828
3. R. E. Parra J. W. Cable 1980 Neutron study of magnetic-moment distribution in Ni-Pt alloys Phys Rev B 21 5494 5504
4. T. U. Nahm J. Y. Kim S. J. Oh 1996 Photoemission study of electronic structures of disordered Ni-Pt and Cu-Pt alloys Phys Rev B 54 7807 7815
5. U. Kumar K. G. Padmalekha P. K. Mukhopadhyay 2005 Magnetic transition in NiPt alloy systems: experiment and theory J Magn Magn Mater 292 234 240
6. U. Kumar P. K. Mukhopadhyay B. Sanyal 2006 Experimental and theoretical study of annealed Ni-Pt alloys Phys Rev B 74 064401
7. G. A. Prinz 1985 Stabilization of bcc Co via epitaxial growth on GaAs Phys Rev Lett 54 1051 1054
8. Z. C. Li D. P. Yu B. X. Liu 2002 Manipulation of ordered layered structures by interface-assisted ion-beam mixing in immiscible Ag-Co and Ag-Ni systems Phys Rev B 65 245403
9. P. E. Blöchl 1994 Projector augmented-wave method Phys Rev B 50 17953 17979
10. J. B. Liu Z. C. Li B. X. Liu 2001 Stability of a nonequilibrium phase in an immiscible Ag-Ni system studied by ab initio calculations and ion-beam-mixing experiment Phys Rev B 63 132204
11. L. T. Kong J. B. Liu B. X. Liu 2002 Ab initio calculation to predict possible non-equilibrium solid phases in an immiscible Y-Nb system J Phys Soc Jpn 71 141 143
12. X. He W. C. Wang B. X. Liu 2008 Ferromagnetic states in Fe-Ru systems studied by ab initio calculation and ion-beam mixing Phys Rev B 77 012401
13. G. Kresse J. Hafner 1993 Ab initio molecular dynamics for liquid metals Phys Rev B 47 558 561
14. G. Kresse J. Furthmüller 1996 Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Comput Mater Sci 6 15 50
15. G. Kresse J. Furthmüller 1996 Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Phys Rev B 54 11169 11186
16. J. P. Perdew A. Zunger 1981 Self-interaction correction to density-functional approximations for many-electron systems Phys Rev B 23 5048 5079
17. J. P. Perdew J. A. Chevary S. H. Vosko 1992 Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation Phys Rev B 46 6671 6683
18. J. Monkhorst J. D. Pack 1976 Special points for Brillouin-zone integrations Phys Rev B 13 5188 5192
19. H. Vosko L. Wilk M. Nusair 1980 Accurate spin-dependent electron liquid correlation energies for local spin-density calculations-a critical analysis Can J Phys 58 1200 1211
20. P. Vinet J. H. Rose J. Ferrante 1989 Universal features of the equation of state of solids J Phys: Condens Matter 1 1941 1963
21. J. H. Li S. H. Liang H. B. Guo 2005 Four-parameter equation of state of solids Appl Phys Lett 87 194111
22. G. Y. Guo H. H. Wang 2000 Gradient-corrected density functional calculation of elastic constants of Fe, Co and Ni in bcc, fcc and hcp structures Chin J Phys (Taipei) 38 949 961
23. 3 Z Phys B: Condens Matter 80 237 239
24. Pearson W B. A Handbook of Lattice Spacings and Structures of Metals and Alloys. Oxford: Pergamon Press, 1967
25. X. He L. T. Kong B. X. Liu 2005 Calculation of ferromagnetic states in metastable bcc and hcp Ni by projector-augmented wave method J Appl Phys 97 106107
26. P. P. Singh 2003 Relativity and magnetism in Ni-Pd and Ni-Pt alloys J Magn Magn Mater 261 347 352
27. L. T. Kong R. F. Zhang Z. C. Li 2003 Magnetic properties of Co and Co-Ag alloys in equilibrium/nonequilibrium structures studied by ab initio calculations Phys Rev B 68 134446
28. J. F. Janak 1977 Uniform susceptibilities of metallic elements Phys Rev B 16 255 266
29. M. S. S. Brooks O. Eriksson B. Johansson 1988 Chemical bonding and magnetism in 3d-5f intermetallics J Phys F: Met Phys 18 L33 L39
30. 3Al Phys Rev B 41 5010 5016
31. 3X (X=3d) Compounds Phys Rev Lett 75 1320 1323
32. 3In. Phys Rev B, 2002, 66: 054440