Sr2Ni3-A strontium subnickelide?

Chemistry - A European Journal

Volumn 17, Issue 12, 2011, Pages 3347-3351

  Höhn, Peter ^a   Agrestini, Stefano ^a   Baranov, Alexey ^a   Hoffmann, Stefan ^a   Kohout, Miroslav ^a   Nitsche, Fabian ^a   Wagner, Frank R ^a   Kniep, Rüdiger ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

Author keywords

bond theory; density functional calculations; metal metal interactions; nickel; strontium

Indexed keywords

BOND THEORY; BONDING ANALYSIS; DENSITY-FUNCTIONAL CALCULATIONS; INTERMETALLIC COMPOUNDS; LAYERED CRYSTAL STRUCTURE; METAL-METAL INTERACTIONS;

CHEMICAL ANALYSIS; CRYSTAL STRUCTURE; INTERMETALLICS; METALS; STRONTIUM;

DENSITY FUNCTIONAL THEORY;

EID: 79952430432     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201002867     Document Type: Article

References (35)

1. P. Höhn, M. Armbrüster, G. Auffermann, U. Burkhardt, F. Haarmann, A. Mehta, R. Kniep, Z. Anorg. Allg. Chem. 2006, 632, 2129.
2. Y. Takeuchi, K. Machizuki, M. Watanabe, I. Obinata, Metall 1966, 20, 2-6
3. H. Okamoto, in Binary Alloy Phase Diagrams, Vol.3, 2 nd ed., (Ed.: T.B. Massalski,), ASM International, Materials Park, Ohio 1990, pp. 2865-2866.
4. A. W. Hull, Phys. Rev. 1917, 10, 661-696.
5. E. A. Sheldon, A. J. King, Acta Crystallogr. 1953, 6, 100.
6. A. J. Bradley, A. Taylor, Philos. Mag. 1937, 23, 1049-1067.
7. N. E. Brese, M. O'Keeffe, J. Solid State Chem. 1990, 87, 134-140.
8. S. Agrestini, P. Höhn, R. Kniep, L.H. Tjeng, unpublished results.
9. Program ELK, version1.0.0, 2010.
10. Program DGrid, version4.6, M. Kohout, Radebeul, Germany, 2010.
11. R. F. W. Bader, Atoms in Molecules, Oxford University Press, Oxford, 1990.
12. M. Kohout, Int. J. Quantum Chem. 2004, 97, 651-658
13. M. Kohout, Faraday Discuss. 2007, 135, 43-54
14. F. R. Wagner, V. Bezugly, M. Kohout, Yu. Grin, Chem. Eur. J. 2007, 13, 5724-5741.
15. B. Silvi, A. Savin, F. R. Wagner, in Modelling of Minerals and Silicated Materials (Eds.:, B. Silvi, P. D'Arco,), Kluwer Academic, Dodrecht, 1997, pp. 179-199
16. B. Silvi, J. Mol. Struct. 2002, 614, 3-10.
17. X. Fradera, M. A. Austen, R. F. W. Bader, J. Phys. Chem. A 1999, 103, 304-314.
18. G. Jansen, M. Schubart, B. Findeis, L. Gade, I. J. Scowen, M. McPartlin, J. Am. Chem. Soc. 1998, 120, 7239-7251
19. S. Raub, G. Jansen, Theor. Chem. Acc. 2001, 106, 223-232.
20. W. Bronger, R. Kniep, M. Kohout, Z. Anorg. Allg. Chem. 2004, 630, 117-121.
21. L. Pauling, The Nature of the Chemical Bond and the Structure of Molecules and Crystals, Mei Ya Publications, Taipei, 1960.
22. M. Kohout, F. R. Wagner, Yu. Grin, Theor. Chem. Acc. 2002, 108, 150-156.
23. Yu. Prots, G. Auffermann, M. Tovar, R. Kniep, Angew. Chem. 2002, 114, 2392-2394
24. Angew. Chem. Int. Ed. 2002, 41, 2288-2290.
25. I. Veremchuk, T. Mori, Yu. Prots, W. Schnelle, A. Leithe-Jasper, M. Kohout, Yu. Grin, J. Solid State Chem. 2008, 181, 1983-1991.
26. P. Höhn, G. Auffermann, R. Ramlau, H. Rosner, W. Schnelle, R. Kniep, Angew. Chem. 2006, 118, 6833-6837
27. Angew. Chem. Int. Ed. 2006, 45, 6681-6685.
28. G. Auffermann, Yu. Prots, R. Kniep, Angew. Chem. 2001, 113, 565-567
29. Angew. Chem. Int. Ed. 2001, 40, 547-549.
30. A.C. Larson, R.B. vonDreele, General Structure Analysis System (GSAS), Los Alamos National Laboratory, 2000.
31. J. P. Perdew, Y. Wang, Phys. Rev. B 1992, 45, 13244-13249.
32. D. J. Singh, Planewaves, Pseudopotentials and the LAPW Method, Kluwer Academic, Boston, 1994
33. E. Sjöstedt, L. Nordström, D. J. Singh, Solid State Commun. 2000, 114, 15-20
34. G. K. H. Madsen, P. Blaha, K. Schwarz, E. Sjöstedt, L. Nordström, Phys. Rev. B 2001, 64, 195134.
35. A. I. Baranov, M. Kohout, J. Phys. Chem. Solids 2010, 71, 1350.