Stability, structural, elastic and electronic properties of RuN polymorphs from first-principles calculations

Solid State Communications

Volumn 150, Issue 19-20, 2010, Pages 953-956

  Bannikov, V V ^a   Shein, I R ^a   Ivanovskii, A L ^a  

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

Author keywords

C. Crystal structure and symmetry; D. Electronic band structure; D. Mechanical properties

Indexed keywords

CRYSTAL STRUCTURE AND SYMMETRY; D. ELECTRONIC BAND STRUCTURE; ELECTRONIC BAND STRUCTURE; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; MONONITRIDE; ROCK SALT STRUCTURES; STABLE STRUCTURES; ZINC BLENDE;

BAND STRUCTURE; BOND STRENGTH (CHEMICAL); CRYSTAL SYMMETRY; ELECTRONIC PROPERTIES; MECHANICAL PROPERTIES; POLYMORPHISM; RUTHENIUM; ZINC;

STRUCTURAL PROPERTIES;

EID: 77950520356     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2010.02.020     Document Type: Article

References (24)

1. Kaner R.B., Gilman J.J., and Tolbert S.H. Science 308 (2005) 1268
2. Gu Q., Krauss G., and Steurer W. Adv. Mater. 20 (2008) 3620
3. Levine J.B., Tolbert S.H., and Kaner R.B. Adv. Funct. Mater. 19 (2009) 3519
4. Ivanovskii A.L. Russ. Chem. Rev. 78 (2009) 328
5. Moreno-Armenta M.G., Diaz J., Martinez-Ruiz A., and Soto G. J. Phys. Chem. Solids 68 (2007) 1989
6. Bannikov V.V., Shein I.R., Medvedeva N.I., and Ivanovskii A.L. J. Magn. Magn. Mater. 321 (2009) 3624
7. de Paiva R., Nogueira R.A., and Alves J.L.A. Phys. Rev. B 75 (2007) 085105
8. Ivanovskaya V.V., Shein I.R., and Ivanovskii A.L. Diam. Relat. Mater. 16 (2007) 243
9. Zhao E., and Wu Z. J. Solid State Chem. 181 (2008) 2814
10. Liang Y., Zhao J., and Zhang B. Solid State Commun. 146 (2008) 450
11. P. Blaha, K. Schwarz, G. Madsen, et al. WIEN2k, An augmented plane wave plus local orbitals program for calculating crystal properties, Vienna University of Technology, Vienna, 2001.
12. Perdew J.P., Burke S., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
13. Blochl P.E., Jepsen O., and Anderson O.K. Phys. Rev. B 49 (1994) 16223
14. Mehl M.J. Phys. Rev. B 47 (1993) 2493
15. Born M., and Huang K. Dynamical Theory of Crystal Lattices (1956), Clarendon, Oxford
16. Zener C. Elasticity and Anelasticity of Metals (1948), University of Chicago, Chicago
17. Pugh S.F. Phil. Mag. 45 (1954) 823
18. Haines J., Leger J.M., and Bocquillon G. Annu. Rev. Mater. Res. 31 (2001) 1
19. Bader R.F.W. Atoms in Molecules: A Quantum Theory, International Series of Monographs on Chemistry (1990), Clarendon Press, Oxford
20. Johansson L.I., Stefan P.M., Shek M.L., and Christensen A.N. Phys. Rev. B 22 (1980) 1032
21. Ahuja R., Eriksson O., Wills J.M., and Johansson B. Phys. Rev. B 53 (1996) 3072
22. Ivanovskii A.L., and Sofronov A.A. Russ. Chem. Bull. 49 (2000) 1796
23. Nazarova S.Z., Kurmaev E.Z., Medvedeva N.I., and Mowes A. Russ. J. Inorg. Chem. 52 (2007) 233
24. Bannikov V.V., Shein I.R., and Ivanovskii A.L. Solid State Comm. 149 (2009) 1807