Reduction of the bulk modulus at high pressureinCrN

Nature Materials

Volumn 8, Issue 12, 2009, Pages 947-951

  Rivadulla, Francisco ^a   Bãobre López, Manuel ^a   Quintela, Camilo X ^a   Pĩeiro, Alberto ^a   Pardo, Victor ^a   Baldomir, Daniel ^a   López Quintela, Manuel Arturo ^a   Rivas, José ^a   Ramos, Carlos A ^b   Salva, Horacio ^b   Zhou, Jian Shi ^c   Goodenough, John B ^c  

^a UNIVERSITY OF SANTIAGO DE COMPOSTELA   (Spain)

^b CENTRO ATÓMICO BARILOCHE   (Argentina)

^c The University of Texas at Austin   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CHEMICAL BONDS; ELASTIC MODULI; MOLECULAR ORBITALS; QUANTUM CHEMISTRY; X RAY DIFFRACTION;

AB INITIO CALCULATIONS; ELECTRONIC TRANSITION; EXCHANGE STRICTION; EXPERIMENTAL APPROACHES; HIGH-PRESSURE X-RAY DIFFRACTIONS; MACHINING TOOL; NITRIDE COATING; SUPERHARD MATERIAL;

REDUCTION;

EID: 70549098223     PISSN: 14761122     EISSN: 14764660     Source Type: Journal    
DOI: 10.1038/nmat2549     Document Type: Article

References (36)

1. Kaner, R. B., Giman, J. J. & Tolbert, S. H. Designing superhard materials. Science 308, 1268-1269 (2005).
2. Tong, W. P., Tao, N. R., Wang, Z. B., Lu, J. & Lu, K. Nitriding iron at lower temperatures. Science 299, 686-688 (2003).
3. Esaka, R. et al. Comparison of surface oxidation of titanium nitride and chromium nitride films studied by X-ray absorption and photoelectron spectroscopy. J. Vac. Sci. Technol. A 15, 2521-2528 (1997).
4. Gregoryanz, E. et al. Synthesis and characterization of a binary noble metal nitride. Nature Mater. 3, 294-297 (2004).
5. Grossman, J. C. et al. Transition metals and their carbides and nitrides: Trends in electronic and structural properties. Phys. Rev. B 60, 6343-6347 (1999).
6. McMillan, P. F. New materials from high-pressure experiments. Nature Mater. 1, 19-25 (2002).
7. Subramanya Herle, P., Hegde, M. S., Vasathacharya, N. Y. & Philip, S. Synthesis of TiN, VN and CrN from ammonolysis of TiS2,VS2, and Cr2S3. J. Solid State Chem. 134, 120-127 (1997).
8. Gall, D., Shin, C-S., Haasch, R. T., Petrov, I. & Greene, J.E. Band gap in epitaxial NaCl-structure CrN(001) layers. J. Appl. Phys. 91, 5882-5886 (2002).
9. Corliss, L. M., Elliott, N. & Hastings, J. M. Antiferromagnetic structure of CrN. Phys. Rev. 117, 929-935 (1960).
10. Browne, J. D., Liddell, P. R., Street, R. & Mills, T. An investigation of the antiferromagnetic transition of CrN. Phys. Status Solidi A 1, 715-723 (1970).
11. Filippetti, A. & Hill, N. A. Magnetic stress as the driving force of structural distortions: the case of CrN. Phys. Rev. Lett. 85, 5166-5169 (2000).
12. Angel, R. J. High-Temperature and High-Pressure Crystal Chemistry (Reviews in Mineralogy and Geochemistry, 41, Mineralogical Society of America, 2000).
13. Chen, H. Y., Tsai, C. J. & Lu, F. H. The Young?s modulus of chromium nitride films. Surf. Coat. Technol. 184, 69-73 (2004).
14. Aizawa, T., Kuwahara, H. & Tamura, M. Fabrication of CrN/Cr2N bulk composites and their mechanical properties. J. Am. Ceram. Soc. 85, 81-85 (2002).
15. Crowhurst, J. C. et al. Synthesis and characterization of the nitrides of platinum and iridium. Science 311, 1275-1278 (2008).
16. Shebanova, O., Soignard, E. & McMillan, P. F. Compressibilities and phonon spectra of high-hardness transition metal-nitride materials. High Press. Res. 26, 87-97 (2006).
17. Cumberland, R. W. et al. Osmium diboride, an ultraincompressible, hard material. J. Am. Chem. Soc. 127, 7264-7265 (2005).
18. Yu, R., Zhan, Q. & De Jonghe, L. C. Crystal structures of and displacive transitions in OsN2,IrN2,RuN2, and RhN2. Angew. Chem. Int. Ed. Engl. 46, 1136-1140 (2007).
19. Young, A. F. et al. Synthesis of novel transition metal nitrides IrN2 and OsN2. Phys. Rev. Lett. 96, 155501-155504 (2006).
20. Chhowalla, M. & Unalan, H. E. Thin films of hard cubic Zr3N4 stabilized by stress. Nature Mater. 4, 317-322 (2005).
21. Meng, Y. et al. The formation of sp3 bonding in compressed BN. Nature Mater. 3, 111-114 (2004
22. Goodenough, J. B. Magnetism and the Chemical Bond (Wiley, 1963).
23. Goodenough, J. B. & Rivadulla, F. Bond-length fluctuations in transition-metal oxides. Mod. Phys. Lett. B 19, 1057-1081 (2005).
24. Goodenough, J. B., Dutta, G. & Manthiram, A. Lattice instabilities near the critical V-V separation for localized versus itinerant electrons in LiV1-yMyO2 (M=Cr or Ti)Li1-xVO2. Phys. Rev. B 43, 10170-10178 (1991).
25. Radaelli, P. G. et al. Formation of isomorphic Ir3+ and Ir4+ octamers and spin dimerization in the spinel CuIr2S4. Nature 416, 155-158 (2002).
26. Schmidt, M. et al. Spin singlet formation in MgTi2O4: Evidence of a helical dimerization pattern. Phys. Rev. Lett. 92, 56402-56405 (2004).
27. Anderson, P. W. New approach to the theory of superexchange interactions. Phys. Rev. 115, 2-13 (1959
28. Harrison, W. A. Electronic Structure and the Properties of Solids. The Physics of the Chemical Bond (W. H. Freeman, 1980).
29. Bloch, D. The 10/3 law for the volume dependence of suprexchange. J. Phys. Chem. Solids 27, 881-885 (1966).
30. Zhou, J.-S. & Goodenough, J. B. Pressure-induced transition from localized electron toward band antiferromagnetism in LaMnO3. Phys. Rev. Lett. 89, 87201-87204 (2002).
31. Haines, J. & Leger, J. M. Phase transitions in ruthenium dioxide up to 40 GPa: Mechanism for the rutile-to-fluorite phase transformation and a model for the high-pressure behaviour of stishovite SiO2. Phys. Rev. B 48, 13344-13350 (1993).
32. Lennie, A. R., Laundy, D., Roberts, M. A. & Bushnell-Wye, G. A novel facility using a Laue focusing monochromator for high-pressure diffraction at the SRS, Daresbury, UK. J. Synchrotron. Radiat. 14, 433-438 (2007).
33. Schwarz, K. & Blaha, P. Solid state calculations using WIEN2k. Comput. Mater. Sci. 28, 259-273 (2003).
34. Sjöstedt, E., Nördstrom, L. & Singh, D. J. An alternative way of linearizing the augmented plane-wave method. Solid State Commun. 114, 15-20 (2000).
35. Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
36. Lichtenstein, A. I., Asinimov, V. I. & Zaanen, J. Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators. Phys. Rev. B 52, R5467-R5470 (1995).