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Computational Materials Science

Volumn 50, Issue 3, 2011, Pages 1212-1216

Electronic structure and surface properties of cubic perovskite oxide BaMnO3

(2) Gökolu, Gökhan a Yildirim, Hasan a

a KARABUK UNIVERSITY (Turkey)

Author keywords

Ab initio calculations; Electronic structure; Half metals; Perovskite; Surface energy

Indexed keywords

AB INITIO CALCULATIONS; BULK STRUCTURE; CUBIC PEROVSKITE; CUBIC PHASE; DENSITY OF STATE; ELECTRONIC BAND; EXCHANGE-CORRELATION FUNCTIONALS; FERROMAGNETIC ORDERS; GENERALIZED GRADIENT APPROXIMATIONS; HALF METALS; HALF-METALLIC BEHAVIOR; LOW TEMPERATURES; PLANE-WAVE PSEUDOPOTENTIAL METHOD; RELAXATION ENERGIES; SPIN-POLARIZED; SURFACE ENERGY; SURFACE GEOMETRIES;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; INTERFACIAL ENERGY; MAGNETIC MOMENTS; MANGANESE OXIDE; METAL IONS; OXYGEN; PEROVSKITE; STRONTIUM COMPOUNDS; SURFACE CHEMISTRY; SURFACE PROPERTIES;

SURFACE STRUCTURE;

EID: 78650717037 PISSN: 09270256 EISSN: None Source Type: Journal
DOI: 10.1016/j.commatsci.2010.11.027 Document Type: Article

Times cited : (17)

References (33)

1
- 2742555746
- B. Meyer, J. Padilla, and D. Vanderbilt Faraday Discuss. 114 1999 395
- (1999) Faraday Discuss. , vol.114 , pp. 395
- Meyer, B.¹ Padilla, J.² Vanderbilt, D.³

2
- 41849117669
- L.M. Feng, L.Q. Jiang, M. Zhu, H.B. Liu, X. Zhou, and C.H. Li J. Phys. Chem. Solids 69 2007 967
- (2007) J. Phys. Chem. Solids , vol.69 , pp. 967
- Feng, L.M.¹ Jiang, L.Q.² Zhu, M.³ Liu, H.B.⁴ Zhou, X.⁵ Li, C.H.⁶

3
- 34447264490
- H. Iwakuni, Y. Shinmyou, H. Yano, H. Matsumoto, and T. Ishihara Appl. Catal. 74 2007 299
- (2007) Appl. Catal. , vol.74 , pp. 299
- Iwakuni, H.¹ Shinmyou, Y.² Yano, H.³ Matsumoto, H.⁴ Ishihara, T.⁵

4
- 58149293032
- H. Iwakuni, Y. Shinmyou, H. Yano, K. Goto, H. Matsumoto, and T. Ishihara Bull. Chem. Soc. Jpn. 81 2008 1175
- (2008) Bull. Chem. Soc. Jpn. , vol.81 , pp. 1175
- Iwakuni, H.¹ Shinmyou, Y.² Yano, H.³ Goto, K.⁴ Matsumoto, H.⁵ Ishihara, T.⁶

5
- 71749095989
- J. Zhu, and A. Thomas Appl. Catal. B: Environ. 92 2009 225
- (2009) Appl. Catal. B: Environ. , vol.92 , pp. 225
- Zhu, J.¹ Thomas, A.²

6
- 68249147643
- Z.H. Zhu, and X.H. Yan J. Appl. Phys. 106 2009 023713
- (2009) J. Appl. Phys. , vol.106 , pp. 023713
- Zhu, Z.H.¹ Yan, X.H.²

7
- 42149123684
- M.I. Katsnelson, V.Yu. Irkhin, L. Chioncel, A.I. Lichtenstaein, and R.A. de Groot Rev. Mod. Phys. 80 2008 315
- (2008) Rev. Mod. Phys. , vol.80 , pp. 315
- Katsnelson, M.I.¹ Irkhin, V.Yu.² Chioncel, L.³ Lichtenstaein, A.I.⁴ De Groot, R.A.⁵

8
- 0000541618
- V.Yu. Irkhin, and M.I. Katsnelson Usp. Fiz. Nauk 164 1994 705
- (1994) Usp. Fiz. Nauk , vol.164 , pp. 705
- Irkhin, V.Yu.¹ Katsnelson, M.I.²

9
- 20444418905
- V.Yu. Irkhin, and M.I. Katsnelson Phys. Usp. 37 1994 659
- (1994) Phys. Usp. , vol.37 , pp. 659
- Irkhin, V.Yu.¹ Katsnelson, M.I.²

10
- 2942610744
- I. Zutić, J. Fabian, and S. Das Sarma Rev. Mod. Phys. 76 2004 323
- (2004) Rev. Mod. Phys. , vol.76 , pp. 323
- Zutić, I.¹ Fabian, J.² Das Sarma, S.³

11
- 0009906761
- G. Schmidt, D. Ferrand, L.W. Molenkamp, A.T. Filip, and B.J. Van Wees Phys. Rev. B 62 2000 R4790
- (2000) Phys. Rev. B , vol.62 , pp. 4790
- Schmidt, G.¹ Ferrand, D.² Molenkamp, L.W.³ Filip, A.T.⁴ Van Wees, B.J.⁵

12
- 77950036453
- R. Fiederling, M. Keim, G. Reuscher, W. Ossau, G. Schmidt, A. Waag, and L.W. Molenkamp Nature (London) 402 1999 78
- (1999) Nature (London) , vol.402 , pp. 78
- Fiederling, R.¹ Keim, M.² Reuscher, G.³ Ossau, W.⁴ Schmidt, G.⁵ Waag, A.⁶ Molenkamp, L.W.⁷

13
- 0033576573
- Y. Ohno, D.K. Young, B. Beschhoten, F. Matsukura, H. Ohno, and D.D. Awschalom Nature (London) 402 1999 790
- (1999) Nature (London) , vol.402 , pp. 790
- Ohno, Y.¹ Young, D.K.² Beschhoten, B.³ Matsukura, F.⁴ Ohno, H.⁵ Awschalom, D.D.⁶

14
- 77954206074
- N. Li, K.L. Yao, G.Y. Gao, L. Zhu, and Y.Y. Wu J. Appl. Phys. 107 2010 123704
- (2010) J. Appl. Phys. , vol.107 , pp. 123704
- Li, N.¹ Yao, K.L.² Gao, G.Y.³ Zhu, L.⁴ Wu, Y.Y.⁵

15
- 78650703391
- http://www.pwscf.org Quantum-ESPRESSO is a Community Project for High-quality Quantum-simulation Software, Based on Density-Functional Theory, and Coordinated by Paolo Giannozzi
- Quantum-ESPRESSO is a Community Project for High-quality Quantum-simulation Software, Based on Density-Functional Theory, and Coordinated by Paolo Giannozzi. < http://www.quantum-espresso.org > and < http://www.pwscf.org >.

16
- 70349568754
- P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. Fabris, G. Fratesi, S. de Gironcoli, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen, A. Smogunov, P. Umari, and R.M. Wentzcovitch J. Phys.: Condens. Matter 21 2009 395502
- (2009) J. Phys.: Condens. Matter , vol.21 , pp. 395502
- Giannozzi, P.¹ Baroni, S.² Bonini, N.³ Calandra, M.⁴ Car, R.⁵ Cavazzoni, C.⁶ Ceresoli, D.⁷ Chiarotti, G.L.⁸ Cococcioni, M.⁹ Dabo, I.¹⁰ Dal Corso, A.¹¹ Fabris, S.¹² Fratesi, G.¹³ De Gironcoli, S.¹⁴ Gebauer, R.¹⁵ Gerstmann, U.¹⁶ Gougoussis, C.¹⁷ Kokalj, A.¹⁸ Lazzeri, M.¹⁹ Martin-Samos, L.²⁰ more..

17
- 0042113153
- W. Kohn, and L.J. Sham Phys. Rev. 140 1965 A1133
- (1965) Phys. Rev. , vol.140 , pp. 1133
- Kohn, W.¹ Sham, L.J.²

18
- 10644250257
- P. Hohenberg, and W. Kohn Phys. Rev. 136 1964 B864
- (1964) Phys. Rev. , vol.136 , pp. 864
- Hohenberg, P.¹ Kohn, W.²

19
- 4243943295
- J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

20
- 20544463457
- D. Vanderbilt Phys. Rev. B 41 1990 7892 (Rapid Communications)
- (1990) Phys. Rev. B , vol.41 , pp. 7892
- Vanderbilt, D.¹

21
- 1842816907
- H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
- (1976) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

22
- 5344230920
- E.R. Davidson J. Comput. Phys. 17 1975 87
- (1975) J. Comput. Phys. , vol.17 , pp. 87
- Davidson, E.R.¹

23
- 84986439201
- H.B. Schlegel J. Comput. Chem. 3 1982 214
- (1982) J. Comput. Chem. , vol.3 , pp. 214
- Schlegel, H.B.¹

24
- 84863215429
- P. Vinet, J. Ferrante, J.R. Smith, and J.H. Rose J. Phys. C 19 1986 L467
- (1986) J. Phys. C , vol.19 , pp. 467
- Vinet, P.¹ Ferrante, J.² Smith, J.R.³ Rose, J.H.⁴

25
- 0343674776
- R.E. Cohen, O. Gülseren, and R.J. Hemley Am. Mineral. 85 2000 338
- (2000) Am. Mineral. , vol.85 , pp. 338
- Cohen, R.E.¹ Gülseren, O.² Hemley, R.J.³

26
- 34347336595
- R. Søndena, S. Stølen, and P. Ravindran Phys. Rev. B 75 2007 184105
- (2007) Phys. Rev. B , vol.75 , pp. 184105
- Søndena, R.¹ Stølen, S.² Ravindran, P.³

27
- 0000226481
- J.C. Slater Phys. Rev. 49 1936 931
- (1936) Phys. Rev. , vol.49 , pp. 931
- Slater, J.C.¹

28
- 0001004811
- J. Padilla, and David Vanderbilt Phys. Rev. B 56 1997 1625
- (1997) Phys. Rev. B , vol.56 , pp. 1625
- Padilla, J.¹ Vanderbilt, D.²

29
- 0032203192
- J. Padilla, and David Vanderbilt Surf. Sci. 418 1998 64
- (1998) Surf. Sci. , vol.418 , pp. 64
- Padilla, J.¹ Vanderbilt, D.²

30
- 84979311500
- E.J.W. Verwey Recl. Trav. Chim. 65 1946 521
- (1946) Recl. Trav. Chim. , vol.65 , pp. 521
- Verwey, E.J.W.¹

31
- 1842453649
- P. Broqvist, H. Grönbeck, and I. Panas Surf. Sci. 554 2004 262
- (2004) Surf. Sci. , vol.554 , pp. 262
- Broqvist, P.¹ Grönbeck, H.² Panas, I.³

32
- 3142746099
- P. Ravindran, R. Vidya, H. Fjellvag, and A. Kjekshus J. Cryst. Growth 268 2004 554
- (2004) J. Cryst. Growth , vol.268 , pp. 554
- Ravindran, P.¹ Vidya, R.² Fjellvag, H.³ Kjekshus, A.⁴

33
- 0001665899
- I.V. Solovyev, N. Hamada, and K. Terakura Phys. Rev. B 53 1996 7158
- (1996) Phys. Rev. B , vol.53 , pp. 7158
- Solovyev, I.V.¹ Hamada, N.² Terakura, K.³

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