Structural stability of some CsCl structure HfTM (TM = Co, Rh, Ru, Fe) compounds

Intermetallics

Volumn 14, Issue 12, 2006, Pages 1403-1410

  Novakovic N ^a   Ivanovic N ^a   Koteski, V ^a   Radisavljevic I ^a   Belosevic Cavor J ^a   Cekic B ^a  

^a UNIVERSITY OF BELGRADE   (Serbia)

Author keywords

A. Intermetallics, miscellaneous; B. Electronic structure of metals and alloys; E. Ab initio calculations; E. Phase stability, prediction

Indexed keywords

CESIUM COMPOUNDS; ELECTRONIC STRUCTURE; PHASE DIAGRAMS; WAVE EQUATIONS;

AB INITIO CALCULATIONS; COHESIVE ENERGIES; PHASE STABILITY; STRUCTURAL STABILITY;

INTERMETALLICS;

EID: 33747593061     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.intermet.2006.01.050     Document Type: Article

References (29)

1. Buschow K.H.J., and Beekmans N.M. Note on the formation, crystallization and electrical resistivity of amorphous hafnium-iron alloys. J Less-Common Met 72 (1980) 141-145
2. Miedema A.R. Heat of formation of alloys. Philips Tech Rev 36 (1976) 217-231
3. Miedema A.R. Predicting heat effects in alloys. Physica 103B (1981) 67-81
4. Boom R., de Boer F.R., Niessen A.K., and Miedema A.R. Enthalpies of formation of liquid and solid binary alloys based on 3d metals. Physica 115B (1983) 285-309
5. Topor L., and Kleppa O.J. Standard enthalpies of formation of RhTi, RhZr, and RhHf. J Less-Common Met 135 (1987) 67-75
6. Guo Q., and Kleppa O.J. Standard enthalpies of formation of some alloys formed between group IV elements and group VIII elements, determined by high-temperature direct synthesis calorimetry II. Alloys of (Ti, Zr, Hf) with (Co, Ni). J Alloys Compd 269 (1998) 181-186
7. Guo Q., and Kleppa O.J. The standard enthalpies of formation of the compounds of early transition metals with late transition metals and with noble metals as determined by Kleppa and co-workers at the University of Chicago - a review. J Alloys Compd 321 (2001) 169-182
8. Kuentzler R. Electronic and lattice properties of the Zr-Ni compounds-comparison with their amorphous counterparts. J Phys F Met Phys 14 (1984) L79-L84
9. Hiroyoshi H., Noguchi K., Fukamichi K., and Nakagawa Y. Mictomagnetism and magnetic after-effect in Fe-Hf amorphous alloys. J Phys Soc Jpn 54 (1985) 3554-3561
10. Pettifor D.G. Bonding and structure of molecules and solids (1995), Oxford University Press
11. Blaha P., Schwartz K., and Luitz J. WIEN 97 a full potential linearized augmented plane wave package for calculating crystal properties (1999), Karlheinz Schwartz, Techn. Universitat Wien, Austria. 3-9501031-0-4
12. Perdew J.P., Burke S., and Ernzerhof M. Generalized gradient approximation made simple. Phys Rev Lett 77 (1996) 3865-3868
13. Blöchl P.E., Jepsen O., and Andersen O.K. Improved tetrahedron method for Brillouin-zone integrations. Phys Rev B 49 (1994) 16223-16233
14. Guillermet A.F., Häglund J., and Grimvall G. Cohesive properties and electronic structure of 5d-transition-metal carbides and nitrides in the NaCl structure. Phys Rev B 48 (1993) 11673-11684
15. Experimental unit cell parameters are taken from.
16. Harrison W.A. Elementary electronic structure (1999), World Scientific, Singapore
17. Schubert K. Kristallstrukturen zweikomponentiger Phasen (1964), Springer-Verlag, Berlin p. 30
18. 2 (A equals Zr, Lu and Hf). J Phys F Met Phys 16 (1986) 1039-1050
19. Villars P., and Calvert L.D. Pearson's handbook of crystallographic data for intermetallic phases vols. 2, 3 (1985), American Society for Metals, Metals Park, Ohio
20. Kuentzler R., and Waterstrat R.M. Electronic properties, superconductivity and stability of the ordered alloys of the Ti-Rh, Zr-Rh and Hf-Rh isoelectronic systems. Solid State Commun 68 (1988) 85-91
21. Moffat W.G. The handbook of binary phase diagrams (1984), Genium Publishing Corporation, New York
22. 22 ordered structures occurring in transition metal alloys. Solid State Commun 38 (1983) 585-590
23. Li C., Hoe J.L., and Wu P. Empirical correlation between melting temperature and cohesive energy of binary Laves phases. J Phys Chem Solids 64 (2003) 201-212
24. Yamashita J., and Asano S. Electronic structure of CsCl-type transition metal alloys. Prog Ther Phys 48 (1972) 2119-2131
25. Matveeva N.M., and Kozlov E.V. Uporadochyene Phazi v Metallicheskih Sistemah (1989), Nauka, Moscow p. 51
26. Amamou A. d-Band structure and atomic arrangement in Ni-Zr compounds. Solid State Commun 37 (1981) 7-11
27. Friedel J. Physics of metals, 1. Electrons. In: Zeeman J.M. (Ed) (1969), Cambridge University Press, London 340-408
28. Asano S., and Yamashita J. Ferromagnetism and antiferromagnetism in 3d transition metals. Prog Theor Phys 49 (1973) 373-387
29. Papaconstantopoulos D.A. Electronic structure of TiFe. Phys Rev B 11 (1975) 4801-4807