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Journal of Solid State Chemistry

Volumn 181, Issue 10, 2008, Pages 2684-2689

A density-functional study on the stability of anatase-type phases in the system Mg-Ta-O-N

(5) Wolff, Holger a Lerch, Martin b Schilling, Heikko b Bähtz, Carsten c Dronskowski, Richard a

a RWTH AACHEN UNIVERSITY (Germany)

b TECHNISCHE UNIVERSITÄT BERLIN (Germany)

c DESY (Germany)

Author keywords

Anatase; Density functional theory; Oxynitrides; Tantalum

Indexed keywords

DOPING (ADDITIVES); MAGNESIUM; OXIDE MINERALS; QUANTUM CHEMISTRY; SYNCHROTRON RADIATION; TANTALUM; TANTALUM OXIDES; TITANIUM DIOXIDE; X RAY POWDER DIFFRACTION;

DENSITY FUNCTIONALS; DENSITY-FUNCTIONAL STUDY; OXYNITRIDES; RUTILE-TYPE STRUCTURES; STRUCTURAL PARAMETER; TANTALUM OXYNITRIDES; THEORETICAL METHODS; TOTAL ENERGY CALCULATION;

DENSITY FUNCTIONAL THEORY;

EID: 55349149326 PISSN: 00224596 EISSN: 1095726X Source Type: Journal
DOI: 10.1016/j.jssc.2008.06.044 Document Type: Article

Times cited : (9)

References (41)

1
- 0036056289
- G. Hitoki, T. Takata, J.N. Kondo, M. Hara, H. Kobayashi, K. Domen, Chem. Commun. (2002) 1698.
- (2002) Chem. Commun , pp. 1698
- Hitoki, G.¹ Takata, T.² Kondo, J.N.³ Hara, M.⁴ Kobayashi, H.⁵ Domen, K.⁶

2
- 12744253491
- S. Ito, K.R. Thampi, P. Comte, P. Liska, M. Grätzel, Chem. Commun. (2005) 268.
- (2005) Chem. Commun , pp. 268
- Ito, S.¹ Thampi, K.R.² Comte, P.³ Liska, P.⁴ Grätzel, M.⁵

3
- 3242749081
- M. Hara, T. Takata, J.N. Kondo, K. Domen. Catal. Today 90 (2004) 313.
- M. Hara, T. Takata, J.N. Kondo, K. Domen. Catal. Today 90 (2004) 313.

4
- 19444377220
- R. Nakamura, T. Tanaka, Y. Nakato, J. Phys. Chem. B 109 (2005) 8920.
- (2005) J. Phys. Chem. B , vol.109 , pp. 8920
- Nakamura, R.¹ Tanaka, T.² Nakato, Y.³

5
- 0001618595
- M. Lerch, J. Lerch, R. Hock, J. Wrba. J. Solid State Chem. 128 (1997) 282.
- (1997) J. Solid State Chem , vol.128 , pp. 282
- Lerch, M.¹ Lerch, J.² Hock, R.³ Wrba, J.⁴

6
- 0005092878
- J. Wendel, M. Lerch, W. Laqua, J. Solid State Chem. 142 (1999) 163.
- (1999) J. Solid State Chem , vol.142 , pp. 163
- Wendel, J.¹ Lerch, M.² Laqua, W.³

7
- 55349145336
- H. Wolff, R. Dronskowski, Z. Anorg. Allg. Chem. 632 (2006) 2101.
- (2006) Z. Anorg. Allg. Chem , vol.632 , pp. 2101
- Wolff, H.¹ Dronskowski, R.²

8
- 0015300789
- J.H. Swisher, M.H. Read, Metall. Trans. 3 (1972) 489.
- (1972) Metall. Trans , vol.3 , pp. 489
- Swisher, J.H.¹ Read, M.H.²

9
- 0842264788
- M. Kerlau, O. Merdrignac-Conanec, M. Cuilloux-Viry, A. Perrin, Solid State Sci. 6 (2004) 101.
- (2004) Solid State Sci , vol.6 , pp. 101
- Kerlau, M.¹ Merdrignac-Conanec, O.² Cuilloux-Viry, M.³ Perrin, A.⁴

10
- 1842679270
- Y.-I. Kim, P.M. Woodward, K.Z. Baba-Kishi, C.W. Tai, Chem. Mater. 16 (2004) 1267.
- (2004) Chem. Mater , vol.16 , pp. 1267
- Kim, Y.-I.¹ Woodward, P.M.² Baba-Kishi, K.Z.³ Tai, C.W.⁴

11
- 33745612858
- O. Merdrignac-Conanec, M. Kerlau, M. Cuilloux-Viry, A. Perrin, Silicates Indust. 69 (2004) 141.
- (2004) Silicates Indust , vol.69 , pp. 141
- Merdrignac-Conanec, O.¹ Kerlau, M.² Cuilloux-Viry, M.³ Perrin, A.⁴

12
- 0034720154
- M. Jansen, H.P. Letschert, Nature 404 (2000) 980.
- (2000) Nature , vol.404 , pp. 980
- Jansen, M.¹ Letschert, H.P.²

13
- 0035850176
- N. Diot, O. Larcher, R. Marchand, J.Y. Kempf, P. Macaudiére, J. Alloys Compd. 323-324 (2001) 45.
- (2001) J. Alloys Compd , vol.323-324 , pp. 45
- Diot, N.¹ Larcher, O.² Marchand, R.³ Kempf, J.Y.⁴ Macaudiére, P.⁵

14
- 0036697941
- E. Orhan, F. Tessier, R. Marchand, Solid State Sci. 4 (2002) 1071.
- (2002) Solid State Sci , vol.4 , pp. 1071
- Orhan, E.¹ Tessier, F.² Marchand, R.³

15
- 0035051169
- C.M. Fang, E. Orhan, G.A. de Wijs, H.T. Hintzen, R.A. de Groot, R. Marchand, J.-Y. Saillard, G. de With, J. Mater. Chem. 11 (2001) 1248.
- (2001) J. Mater. Chem , vol.11 , pp. 1248
- Fang, C.M.¹ Orhan, E.² de Wijs, G.A.³ Hintzen, H.T.⁴ de Groot, R.A.⁵ Marchand, R.⁶ Saillard, J.-Y.⁷ de With, G.⁸

16
- 0000678038
- D. Armytage, B.E.F. Fender, Acta Crystallogr. B 30 (1974) 809.
- (1974) Acta Crystallogr. B , vol.30 , pp. 809
- Armytage, D.¹ Fender, B.E.F.²

17
- 55349112614
- H. Schilling, E. Irran, H. Wolff, T. Bredow, R. Dronskowski, M. Lerch, Z. Anorg. Allg. Chem. 632 (2006) 2136.
- (2006) Z. Anorg. Allg. Chem , vol.632 , pp. 2136
- Schilling, H.¹ Irran, E.² Wolff, H.³ Bredow, T.⁴ Dronskowski, R.⁵ Lerch, M.⁶

18
- 55349096878
- H. Schilling, A. Stork, E. Irran, H. Wolff, T. Bredow, R. Dronskowski, M. Lerch, Angew. Chem. 119 (2007) 2989;
- (2007) Angew. Chem , vol.119 , pp. 2989
- Schilling, H.¹ Stork, A.² Irran, E.³ Wolff, H.⁴ Bredow, T.⁵ Dronskowski, R.⁶ Lerch, M.⁷

19
- 34250835585
- H. Schilling, A. Stork, E. Irran, H. Wolff, T. Bredow, R. Dronskowski, M. Lerch, Angew. Chem. Int. Ed. 46 (2007) 2931.
- (2007) Angew. Chem. Int. Ed , vol.46 , pp. 2931
- Schilling, H.¹ Stork, A.² Irran, E.³ Wolff, H.⁴ Bredow, T.⁵ Dronskowski, R.⁶ Lerch, M.⁷

20
- 34248159580
- H. Wolff, T. Bredow, M. Lerch, H. Schilling, E. Irran, A. Stork, R. Dronskowski, J. Phys. Chem. A 111 (2007) 2745.
- (2007) J. Phys. Chem. A , vol.111 , pp. 2745
- Wolff, H.¹ Bredow, T.² Lerch, M.³ Schilling, H.⁴ Irran, E.⁵ Stork, A.⁶ Dronskowski, R.⁷

21
- 0348047262
- M.-W. Lumey, R. Dronskowski, Z. Anorg. Allg. Chem. 629 (2003) 2173.
- (2003) Z. Anorg. Allg. Chem , vol.629 , pp. 2173
- Lumey, M.-W.¹ Dronskowski, R.²

22
- 33745734838
- H. Schilling, M. Lerch, Z. Kristallogr. Suppl. 22 (2005) 76.
- (2005) Z. Kristallogr. Suppl , vol.22 , pp. 76
- Schilling, H.¹ Lerch, M.²

23
- 33745726889
- H. Schilling, H. Wolff, R. Dronskowski, M. Lerch, Z. Naturforsch. B 61 (2006) 660.
- (2006) Z. Naturforsch. B , vol.61 , pp. 660
- Schilling, H.¹ Wolff, H.² Dronskowski, R.³ Lerch, M.⁴

24
- 33746503002
- H. Wolff, H. Schilling, M. Lerch, R. Dronskowski, J. Solid State Chem. 179 (2006) 2265.
- (2006) J. Solid State Chem , vol.179 , pp. 2265
- Wolff, H.¹ Schilling, H.² Lerch, M.³ Dronskowski, R.⁴

25
- 33746287781
- H. Schilling, M. Lerch, A. Börger, K.-D. Becker, H. Wolff, R. Dronskowski, T. Bredow, M. Tovar, C. Baehtz, J. Solid State Chem. 179 (2006) 2416.
- (2006) J. Solid State Chem , vol.179 , pp. 2416
- Schilling, H.¹ Lerch, M.² Börger, A.³ Becker, K.-D.⁴ Wolff, H.⁵ Dronskowski, R.⁶ Bredow, T.⁷ Tovar, M.⁸ Baehtz, C.⁹

26
- 33745625120
- T. Bredow, R. Dronskowski, M. Lerch, M.-W. Lumey, H. Schilling, J. Pickardt, Z. Anorg. Allg. Chem. 632 (2006) 1157.
- (2006) Z. Anorg. Allg. Chem , vol.632 , pp. 1157
- Bredow, T.¹ Dronskowski, R.² Lerch, M.³ Lumey, M.-W.⁴ Schilling, H.⁵ Pickardt, J.⁶

27
- 0031554473
- T. Okubo, M. Kakihana, J. Alloys Compd. 256 (1997) 151.
- (1997) J. Alloys Compd , vol.256 , pp. 151
- Okubo, T.¹ Kakihana, M.²

28
- 55349113327
- Berlin
- W. Kraus, G. Nolze, Bundesanstalt für Materialprüfung (BAM), Berlin, 2000.
- (2000) Bundesanstalt für Materialprüfung (BAM)
- Kraus, W.¹ Nolze, G.²

29
- 0001993081
- J. Rodriguez-Carvajal, in: Abstracts of the Satellite Meeting on Powder Diffraction of the XV Congress of the IUCr, 1990, p. 127
- (1990) Abstracts of the Satellite Meeting on Powder Diffraction of the XV Congress of the IUCr , pp. 127
- Rodriguez-Carvajal, J.¹

30
- 12844286241
- G. Kresse, J. Hafner, Phys. Rev. B 47 (1993) 558;
- (1993) Phys. Rev. B , vol.47 , pp. 558
- Kresse, G.¹ Hafner, J.²

31
- 27744460065
- G. Kresse, J. Hafner, Phys. Rev. B 49 (1994) 14251.
- (1994) Phys. Rev. B , vol.49 , pp. 14251
- Kresse, G.¹ Hafner, J.²

32
- 0030190741
- G. Kresse, J. Furthmuller. Comput. Mater. Sci. 6 (1996) 15;
- G. Kresse, J. Furthmuller. Comput. Mater. Sci. 6 (1996) 15;

33
- 2442537377
- G. Kresse, J. Furthmuller, Phys. Rev. B 55 (1996) 11169.
- (1996) Phys. Rev. B , vol.55 , pp. 11169
- Kresse, G.¹ Furthmuller, J.²

34
- 20544463457
- D. Vanderbilt, Phys. Rev. B 41 (1990) 7892.
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

35
- 33645898818
- J.P. Perdew, Y. Wang, Phys. Rev. B 45 (1992) 13244.
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

36
- 8844223338
- T. Bredow, M. Lerch, Z. Anorg. Allg. Chem. 630 (2004) 2262.
- (2004) Z. Anorg. Allg. Chem , vol.630 , pp. 2262
- Bredow, T.¹ Lerch, M.²

37
- 0003777326
- M.D. Lechner Ed, 4. Aufl, Springer, Berlin, Heidelberg, New York
- M.D. Lechner (Ed.), D'Ans Lax; Taschenbuch für Chemiker und Physiker, Band I; Physikalisch-chemische Daten, 4. Aufl., Springer, Berlin, Heidelberg, New York, 1992.
- (1992) D'Ans Lax; Taschenbuch für Chemiker und Physiker, Band I; Physikalisch-chemische Daten

38
- 0037877706
- L. Pauling, J. Am. Chem. Soc. 51 (1929) 1010.
- (1929) J. Am. Chem. Soc , vol.51 , pp. 1010
- Pauling, L.¹

39
- 33846111403
- A. Fuertes, Inorg. Chem. 45 (2006) 9640.
- (2006) Inorg. Chem , vol.45 , pp. 9640
- Fuertes, A.¹

40
- 0001753505
- J.M. McHale, A. Navrotsky, G.R. Kowach, V.E. Balbarin, F.J. DiSalvo, Chem. Mater. 9 (1997) 1538.
- (1997) Chem. Mater , vol.9 , pp. 1538
- McHale, J.M.¹ Navrotsky, A.² Kowach, G.R.³ Balbarin, V.E.⁴ DiSalvo, F.J.⁵

41
- 0019697732
- J.K. Burdett, S.L Price, G.D. Price, Solid State Commun. 40 (1981) 923.
- (1981) Solid State Commun , vol.40 , pp. 923
- Burdett, J.K.¹ Price, S.L.² Price, G.D.³

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