Ab initio investigation of osmium carbide

International Journal of Refractory Metals and Hard Materials

Volumn 26, Issue 2, 2008, Pages 61-67

  Zemzemi, M ^a   Hebbache, M ^a  

^a UNIVERSITÉ PARIS DIDEROT   (France)

Author keywords

Ab initio calculation; Hard materials; Osmium carbide

Indexed keywords

FUNCTIONAL ANALYSIS; HARDNESS; PHYSICAL PROPERTIES;

AB INITIO CALCULATION; HARD MATERIALS; OSMIUM CARBIDE;

OSMIUM COMPOUNDS;

EID: 35948993774     PISSN: 02634368     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ijrmhm.2007.04.003     Document Type: Article

References (20)

1. Toth L. Transition metal carbides and nitrides (1971), Academic Press, New York
2. Gregoryanz E., Sanloup C., Somayazulu, Badro J., Fiquet G., Mao H.K., et al. Synthesis and characterization of a binary noble metal nitride. Nature Mater 3 (2004) 294
3. Crowhurst J.C., Goncharov A.F., Sadigh B., Evans C.L., Morall P.G., Ferreira J.L., et al. Synthesis and characterization of the nitrides of platinum and iridium. Science 311 (2006) 1275
4. 2. Phys Rev Lett 96 (2006) 155501
5. Kempter C.P., and Nadler M.R. Preparation and crystal structures of RuC and OsC. J Chem Phys 33 (1960) 1580
6. Kempter C.P. Further investigations of RuC and OsC. J Chem Phys 41 (1964) 1515
7. Kohn W., and Sham L.J. Self-consistent equations including exchange and correlation effects. Phys Rev 140 (1965) A1133
8. Blaha P., Schwarz S., Madsen G.K.H., Kvasnicka D., and Luitz J. Computer code WIEN2k (2001), Vienna University of Technology, Vienna
9. Perdew J.P., and Zunger A. Self-interaction correction to density-functional approximations for many-electron systems. Phys Rev B 23 (1991) 5048
10. Moissan H. Sur l'ébullition de l'osmium, du ruthénium, du platine, du palladium, de l'iridium et du rhodium. CR Acad Sci Paris 142 (1906) 26
11. Moffatt W.G. Binary phase diagrams handbook (1984), GEC Schenectady, New York
12. Guillermet A.F., Haglund 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
13. Grossman J.C., Mizel A., Côté M., Cohen M.L., and Louie S.G. Transition metals and their carbides and nitrides: trends in electronic and structural properties. Phys Rev B 60 (1999) 6343
14. Zheng J.C. Superhard hexagonal transition metal and its carbide and nitride: Os, OsC, and OsN. Phys Rev B 72 (2005) 052105
15. 2. Solid State Commun 139 (2006) 227
16. Hebbache M. Shear modulus and hardness of crystals: density functional calculations. Solid State Commun 113 (2000) 427
17. Gubicza J., Ribarik G., Goren-Muginstein G.R., Rosen A.R., and Ungar T. The density and the character of dislocations in cubic and hexagonal polycrystals determined by X-ray diffraction. Mat Sci Eng A 309 (2001) 60
18. Jaffee R.I., Maykuth D.J., and Douglas R.W. Rhenium and the refractory platinum-group metals. In: Semchyshen M., and Harwood J.J. (Eds). Refractory metals and alloys (1961), Interscience, New York 383
19. Teter D.M. Computational alchemy: the search for new superhard materials. MRS Bull 23 (1998) 22
20. Holleck H. The search for novel superhard materials. J Vac Sci Technol A 4 (1986) 2661