Potential ultra-incompressible material ReN: First-principles prediction

Solid State Communications

Volumn 149, Issue 39-40, 2009, Pages 1591-1595

  Li, Yan Ling ^a,b,c   Zeng, Zhi ^a  

^a INSTITUTE OF SOLID STATE PHYSICS   (China)

^b JIANGSU NORMAL UNIVERSITY   (China)

^c UNIVERSITY OF CHINESE ACADEMY OF SCIENCES   (China)

Author keywords

A. Metals; C. Crystal structure and symmetry; D. Elasticity; D. Electron phonon interactions

Indexed keywords

A. METALS; C. CRYSTAL STRUCTURE AND SYMMETRY; D. ELASTICITY; D. ELECTRON-PHONON INTERACTIONS; ELASTIC ANISOTROPY; EXPERIMENTAL VALUES; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; INCOMPRESSIBLE MATERIAL; INCOMPRESSIBLE SOLIDS; SPACE GROUPS; STABLE STRUCTURES; VALENCE ELECTRON DENSITY;

DENSITY FUNCTIONAL THEORY; ELASTICITY; ELECTRON-PHONON INTERACTIONS; ELECTRONIC PROPERTIES; ELECTRONS; SINGLE CRYSTALS; SOLID STATE PHYSICS; STRONTIUM COMPOUNDS; STRUCTURAL METALS; SUPERCONDUCTING TRANSITION TEMPERATURE;

CRYSTAL SYMMETRY;

EID: 68949181888     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2009.06.040     Document Type: Article

References (43)

1. Horvath-Bordon E., Riedel R., Zerr A., McMillan P.F., Aufermann G., Prots Y., Bronger W., Kniep R., and Kroll P. Chem. Soc. Rev. 35 (2006) 987
2. McMillan P.F. Nature Mater. 1 (2002) 19
3. Zerr A., Miche G., and Riedel R. Nature Mater. 2 (2003) 185
4. Crowhurst J.C., Goncharov A.F., Sadigh B., Evans C.L., Morrall P.G., Ferreira J.L., and Nelson A.J. Science 311 (2006) 1275
5. Young A.F., Sanloup C., Gregoryanz E., Scandolo S., Hemley R.J., and Mao H.K. Phys. Rev. Lett. 96 (2006) 155501
6. Soignard E., Shebanova O., and McMillan P.F. Phys. Rev. B 75 (2007) 014104
7. Bull C.L., McMillan P.F., Soignard E., and Leinenweber K. J. Solid State Chem. 177 (2004) 1488
8. Li Y., and Zeng Z. Chem. Phys. Lett. 474 (2009) 93
9. Kaner R.B., Gilman J.J., and Tolbert S.H. Science 308 (2005) 1268
10. Mattesini M., Ahuja R., and Johansson B. Phys. Rev. B 68 (2003) 184108
11. Young A.F., Montoya J.A., Sanloup C., Lazzeri M., Gregoryanz E., and Scandolo S. Phys. Rev. B 73 (2006) 153102
12. Chen Z.W., Guo X.J., Liu Z.Y., Ma M.Z., Jing Q., Li G., Zhang X.Y., Li L.X., Wang Q., Tian Y.J., and Liu R.P. Phys. Rev. B 75 (2007) 054103
13. Yu R., Zhan Q., and De Jonghe L.-C. Angew. Chem. Int. Ed. 46 (2007) 1136
14. Wu Z., Hao X., Liu X., and Meng J. Phys. Rev. B 75 (2007) 054115
15. Montoya J.A., Sanloup C., Gregoryanz E., and Scandolo S. Appl. Phys. Lett. 90 (2007) 011909
16. Fan C.Z., Zeng S.Y., Li L.X., Zhan Z.J., Liu R.P., Wang W.K., Zhang P., and Yao Y.G. Phys. Rev. B 74 (2006) 125118
17. Kanoun M.B., Goumri-Said S., and Jaouen M. Phys. Rev. B 76 (2007) 134109
18. Haq A.ul., and Meyer O. J. Low Temp. Phys. 50 (1983) 123
19. Isaev E.I., Simak S.I., Abrikosov I.A., Ahuja R., Vekilov Yu.Kh., Katsnelson M.I., Lechtenstein A.I., and Johansson B. J. Appl. Phys. 101 (2007) 123519
20. Allen P.B., and Dynes R.C. Phys. Rev. 12 (1975) 905
21. Sjöstedt E., Nordström L., and Singh D.J. Solid State Commun. 114 (2000) 15
22. Madsen G.K.H., Blaha P., Schwarz K., Sjöstedt E., and Nordström L. Phys. Rev. B 64 (2001) 195134
23. P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, J. Luitz, Computer code Wien2k, an augmented plane wave plus local orbitals program for calculating crystal properties, Karlheinz Schwarz, Technische Universits̈t Wien, Austria, 2001
24. Segall M.D., Lindan P.J.D., Probert M.J., Pickard C.J., Hasnip P.J., Clark S.J., and Payne M.C. J. Phys.: Condens. Matter 14 (2002) 2717
25. Pfrommer B.G., Cote M., Louie S.G., and Cohen M.L. J. Comput. Phys. 131 (1997) 133
26. Hill R. Proc. Phys. Soc. London 65 (1952) 349
27. Birch F. Phys. Rev. 71 (1947) 809
28. Poirier J.-P. Introduction to the Physics of the Earth's Interior (2000), Cambridge University Press, Cambridge
29. Steinle-Neumann G., Stixrude L., and Cohen R.E. Phys. Rev. B 60 (1999) 791
30. Chung H., Weinberger A.B., Levine J.B., Kavner A., Yang J., Tolbert S.H., and Kaner R.B. Science 316 (2007) 436
31. Gilman J.J., Cumberland R.W., and Kaner R.B. Int. J. Refrac. Met Hard Matter 24 (2006) 1-5
32. Gou H., Hou L., Zhang J., Li H., Sun G., and Gao F. Appl. Phys. Lett. 88 (2006) 221904
33. Zheng J.C. Phys. Rev. B 72 (2005) 052105
34. Occelli F., Farber D.L., and Toullec R.L. Nature Mater. 2 (2003) 151
35. All calculated parameters using PW-PP method agree well with those given by using FP-LAPW method within 1.0%, showing that the PW-PP method can be used to calculate the elastic properties of ReN
36. Born M., and Huang K. Dynamical Theory of Crystal Lattices (1956), Clarendon, Oxford
37. Gou H., Hou L., Zhang J., and Gao F. Appl. Phys. Lett. 92 (2008) 241901
38. Ledbetter H.M. J. Phys. Chem. Solids 34 (1973) 721
39. Ravindran P., Fast L., Korzhavyi P.A., Johansson B., Wills J., and Eriksson O. J. Appl. Phys. 84 (1998) 4891
40. Teter D.M. MRS. Bull. 23 (1998) 22
41. Jhi S.-H., Ihm J., Louie S.G., and Cohen M.L. Nature 399 (1999) 132
42. Anderson O.L. J. Phys. Chem. Solids 24 (1963) 909
43. Quantum-ESPRESSO is a community project for high-quality quantum-simulation software, based on density-functional theory, and coordinated by Paolo Giannozzi. See http://www.quantum-espresso.org and http://www.pwscf.org