High-pressure-high-temperature behavior of ζ-Fe2N and phase transition to ε-Fe3N1.5

European Journal of Inorganic Chemistry

Volumn , Issue 12, 2009, Pages 1634-1639

  Schwarz, Ulrich ^a   Wosylus, Aron ^a   Wessel, Michael ^b   Nskowski, Richard Dro ^b   Hanfland, Michael ^c   Rau, Dieter ^d   Niewa, Rainer ^d  

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

^b RWTH AACHEN UNIVERSITY   (Germany)

^c EUROPEAN SYNCHROTRON RADIATION FACILITY   (France)

^d TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

Ab initio calculations; High pressure chemistry; Iron; Nitrides; X ray diffraction

Indexed keywords

CRYSTAL STRUCTURE; ELECTRONIC STRUCTURE; EQUATIONS OF STATE; HIGH PRESSURE ENGINEERING; IRON COMPOUNDS; NITROGEN;

AB INITIO CALCULATIONS; CRYSTALS STRUCTURES; HIGH PRESSURE HIGH TEMPERATURE; HIGH TEMPERATURE BEHAVIOR; HIGH TEMPERATURE CONDITION; HIGH-PRESSURE CHEMISTRY; MULTI ANVILS; SINGLE-CRYSTALLINE; SPACE GROUPS; X- RAY DIFFRACTIONS;

X RAY DIFFRACTION;

EID: 65249122426     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.200801222     Document Type: Article

References (41)

1. C. Despretz, Ann. Chim. Phys. 1829, 42, 122.
2. C. L. Berthollet, L. J. Thénard, Traité Chim. 1834, 1, 434.
3. A. Fry, Stahl Eisen 1923, 43, 1271-1279.
4. D. Andriamandroso, L. Fefilatiev, G. Demazeau, L. Fournès, M. Pouchard, Mater. Res. Bull. 1984, 19, 1187-1194.
5. O. Silvestri, Poggendorfs Annalen der Physik und Chemie 1867, 157, 165-172.
6. V. F. Buchwald, H. P. Nielsen, Lunar Planet. Sci. 1981, 12, 112-114.
7. J. F. Adler, Q. Williams, J. Geophys. Res. 2005, 110, B01203.
8. K. H. Jack, Proc. R. Soc. London, Ser. A 1948, 195, 34-41.
9. H. Jacobs, D. Rechenbach, U. Zachwieja, J. Alloys Compd. 1995, 277, 10-17.
10. K. H. Jack, Proc. R. Soc. London, Ser. A 1951, 208, 200-215.
11. H. A. Wriedt, N. A. Gokcen, R. H. Nafziger, Bull. Alloy Phase Diagrams 1987, 8, 355-377 and references given therein.
12. D. H. Jack, K. H. Jack, Mater. Sci. Eng. 1973, 11, 1-27.
13. D. Rechenbach, H. Jacobs, J. Alloys Compd. 1996, 235, 15-22.
14. th Int. Conf. Ferrites, Tokyo and Kyoto, Japan, 1992, 508.
15. S. Kikkawa, T. Yamamoto, K. Ohta, M. Takahashi, F. Kanamaru, in: The Chemistry of Transition Met al. Carbides and Nitrides (Ed.: S. T. Oyama), Blackie A and P Glasgow, 1996, p. 175.
16. K. Suzuki, H. Morita, T. Kaneko, H. Yoshida, H. Fujimori, J. Alloys Compd. 1993, 201, 11-16.
17. T. K. Kim, M. Takahashi, Appl. Phys. Lett. 1972, 20, 492-494.
18. R. Niewa, D. Rau, A. Wosylus, K. Meier, M. Hanfland, M. Wessel, R. Dronskowski, D. Dzivenko, R. Riedel, U. Schwarz, Chem. Mater. 2009, 21, 392-398.
19. R. Niewa, D. Rau, A. Wosylus, K. Meier, M. Wessel, R. Dronskowski, U. Schwarz, J. Alloys Compd., in press.
20. A. Leineweber, H. Jacobs, F. Hüning, H. Lueken, W Kockel-mann, J. Alloys Compd. 2001, 316, 21-38.
21. K. H. Jack, Acta Crystallogr. 1952, 5, 404-411.
22. T. Epicier, in: The Physics and Chemistry of Carbides, Nitrides and Borides (Ed.: R. Freer), 1990, p. 215.
23. R. Blachnik, in: Taschenbuch für Chemiker und Physiker (Eds.: D'Ans and Lax), part 3, Springer, Berlin, Heidelberg, New York, 1998.
24. The compressibility of media under extreme pressures: F. D. Murnaghan, Prog. Natl. Acad. Sci. USA 1944, 30, 244-247.
25. D. Walker, M. A. Carpenter, C. Hitch, Am. Mineral. 1990, 75, 1020-1028.
26. D. Walker, Am. Mineral. 1991, 76, 1092-1100.
27. M. J. Walter, Y. Thibault, K. Wei, R. W Luth, Can. J. Phys. 1995, 73, 273-286.
28. D. C. Rubie, Phase Transitions 1999, 68, 431-451.
29. D. A. Young, in: Phase diagrams of the elements, University of California Press, Berkeley, 1991.
30. L. Akselrud, Image Integrator, version 1.2, Max-Planck-Institut für Chemische Physik fester Stoffe, Dresden, 2005.
31. Use of the CSD program package for structure determination from powder data: L. G. Akselrud, P. Y. Zavalii, Yu. N Grin, V. K. Pecharsky, B. Baumgartner, E. Woelfel, Mater. Science Forum 1993, 133-136, 335-340.
32. a) G. Kresse, J. Hafner, Phys. Rev. B 1993, 47, 558-561;
33. G. Kresse, J. Hafner, Phys. Rev. B 1994, 49, 14251-14269.
34. a) G. Kresse, J. Furthmüller, Comput. Mater. Sci. 1996, 6, 15-50;
35. G. Kresse, J. Furthmüller, Phys. Rev. B 1996, 55, 11169-11186.
36. J. P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 1996, 77, 3865-3868.
37. P. E. Blöchl, Phys. Rev. B 1994, 50, 17953-17979.
38. J. von Appen, R. Dronskowski, Angew. Chem. Int. Ed. 2005, 44, 1205-1210.
39. A. Houben, P. Müller, J. von Appen, H. Lueken, R. Niewa, R. Dronskowski, Angew. Chem. Int. Ed. 2005, 44, 7212-7215.
40. G. Sheldrick, C. Krüger, R. Goddard, SHELXS-97, University of Göttingen, Germany, 1985.
41. G. Sheldrick, 1997 SHELXL97-2, University of Göttingen, Germany, 1997.