Ab initio study of structural, magnetic, vibrational, and thermodynamic properties of the Laves-phase compound Hf Mn2

Physical Review B - Condensed Matter and Materials Physics

Volumn 76, Issue 1, 2007, Pages

  Chen, Xing Qiu ^a,b   Wolf, W ^c   Podloucky, R ^a   Rogl, P ^a  

^a UNIVERSITY OF VIENNA   (Austria)

^b NORTHEASTERN UNIVERSITY   (China)

^c Materials Design sarl   (France)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 34447648065     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.76.014424     Document Type: Article

References (28)

1. H. Nakamura, N. Metoki, S. Suzuki, F. Takayanagi, and M. Shiga, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/3/309 13, 475 (2001).
2. R. Ballou, E. Leliévre-Berna, and B. Fĝk, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.76.2125 76, 2125 (1996).
3. B. Canals and C. Lacroix, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.80.2933 80, 2933 (1998).
4. X. -Q. Chen, W. Wolf, R. Podloucky, P. Rogl, and M. Marsman, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2004-10119-4 67, 807 (2004).
5. X. -Q. Chen, W. Wolf, R. Podloucky, P. Rogl, and M. Marsman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.054440 72, 054440 (2005).
6. M. Rotter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.224109 74, 224109 (2006).
7. X. -Q. Chen, V. T. Witusiewicz, R. Podloucky, P. Rogl, and F. Sommer, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(02)00497-4 51, 1239 (2003).
8. R. P. Elliott, Trans. Am. Soc. Met. TASEA7 0096-7416 53, 321 (1961).
9. J. H. Wernick and S. E. Haszko, J. Phys. Chem. Solids JPCSAW 0022-3697 18, 207 (1961).
10. V. N. Svechnikov and V. V. Pétkov, Metallofizika (Academiya Nauk Ukrainskoi SSR, Institut Metallofiziki) 64, 24 (1976).
11. R. P. Elliott and W. Rostoker, Trans. Am. Soc. Met. TASEA7 0096-7416 50, 617 (1958).
12. T. B. Massalski, Binary Alloy Phase Diagram, 2nd ed. (American Society for Metals, Metals Park, OH, 1990), Vol. 3, p. 2578.
13. T. M. Shavishvili, A. I. Meskhishvili, and T. D. Andriadze, Fiz. Met. Metalloved. FMMTAK 0015-3230 47, 880 (1979).
14. D. Mukai, H. Miyata, and K. Aoki, J. Alloys Compd. JALCEU 0925-8388 293, 417 (1999).
15. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
16. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
17. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
18. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1996).
19. J. P. Perdew and Y. Wang, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.45.13244 45, 13244 (1992).
20. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. CJPHAD 0008-4204 58, 1200 (1980).
21. X. -Q. Chen, R. Podloucky, and P. Rogl, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.2374672 100, 113901 (2006).
22. H. J. Monkhorst and J. D. Pack, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.13.5188 13, 5188 (1976).
23. W. Frank, C. Elsässer, and M. Fähnle, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.1791 74, 1791 (1995).
24. G. Kresse, J. Furthmüller, and J. Hafner, Europhys. Lett. EULEEJ 0295-5075 32, 729 (1995).
25. K. Parlinski, PHONON 4.25, 2005, as implemented in MedeA, Materials Design Inc. (www.materialsdesign.com).
26. K. Parlinski, Z.-Q. Li, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063 78, 4063 (1997).
27. W. Ashcroft and N. D. Mermin, Solid State Physics (Holt, Rinehart and Winston, New York, 1976).
28. X. -Q. Chen, W. Wolf, R. Podloucky, and P. Rogl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.174101 71, 174101 (2005).