SCOPUS 정보 검색 플랫폼

Turkish Journal of Physics

Volumn 30, Issue 4, 2006, Pages 277-285

First principles approach to BaTiO3

(2) Uludogan M a Cagin T a

a Texas AandM University (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; FERROELECTRIC MATERIALS; PERMITTIVITY; PHASE TRANSITIONS; PHONONS; SPECTRUM ANALYSIS;

GENERALIZED GRADIENT APPROXIMATION; PHASE STABILITY; PHONON SPECTRA;

BARIUM ALLOYS;

EID: 33749385866 PISSN: 13000101 EISSN: 13000101 Source Type: Journal
DOI: None Document Type: Article

Times cited : (21)

References (52)

1
- 36149009644
- J. Valasek, Phys. Rev., 17, (1921), 475-81.
- (1921) Phys. Rev. , vol.17 , pp. 475-481
- Valasek, J.¹

2
- 33749419365
- U.S. Pat. No. 2 486 560
- R. W. Gray, U.S. Pat. No. 2 486 560, 1949.
- (1949)
- Gray, R.W.¹

3
- 10644250257
- P. Hohenberg and W. Kohn, Phys. Rev., 136, (1964), 864A.
- (1964) Phys. Rev. , vol.136
- Hohenberg, P.¹ Kohn, W.²

4
- 0042113153
- W. Kohn and L. J. Sham, Phys. Rev., 140, (1965), 1133B.
- (1965) Phys. Rev. , vol.140
- Kohn, W.¹ Sham, L.J.²

5
- 11944256577
- M. C. Payne, M. P. Teter, D. C. Allan, T. A. Arias and J. D. Joannoponlos, Rev. Mod. Phys., 64, (1992), 1045.
- (1992) Rev. Mod. Phys. , vol.64 , pp. 1045
- Payne, M.C.¹ Teter, M.P.² Allan, D.C.³ Arias, T.A.⁴ Joannoponlos, J.D.⁵

6
- 0011236321
- G. Kresse, and J. Joubert, Phys. Rev. B, 59, (1999), 1758.
- (1999) Phys. Rev. B , vol.59 , pp. 1758
- Kresse, G.¹ Joubert, J.²

7
- 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

8
- 1842816907
- H. J. Monkhorst and J. D. Pack, Phys. Rev. B, 13, (1977), 5188.
- (1977) Phys. Rev. B , vol.13 , pp. 5188
- Monkhorst, H.J.¹ Pack, J.D.²

9
- 12844286241
- G. Kresse and J. Hafner, Phys. Rev. B, 47, (1993), RC558.
- (1993) Phys. Rev. B , vol.47
- Kresse, G.¹ Hafner, J.²

10
- 2442537377
- G. Kresse and J. Furthmüller, Phys. Rev. B, 54, (1996), 11169.
- (1996) Phys. Rev. B , vol.54 , pp. 11169
- Kresse, G.¹ Furthmüller, J.²

11
- 0001753062
- J. H. Rose, J. R. Smith, F. Guinea and J. Ferrante, Phys. Rev. B, 29, (1984), 2963.
- (1984) Phys. Rev. B , vol.29 , pp. 2963
- Rose, J.H.¹ Smith, J.R.² Guinea, F.³ Ferrante, J.⁴

12
- 0004161838
- Cambridge University Press, New York
- W. H. Press, B.P. Flannery, S.A. Teukolsky and W.T. Vetterling, Numerical Recipes, (Cambridge University Press, New York, 1986).
- (1986) Numerical Recipes
- Press, W.H.¹ Flannery, B.P.² Teukolsky, S.A.³ Vetterling, W.T.⁴

13
- 0003537943
- K. H. Hellwege, A. M. Hellwege (Eds.), LandoltBornstein, (Springer, Berlin) (group 111)
- K. H. Hellwege, A. M. Hellwege (Eds.), Ferroelectrics and Related Substances, New Series Vol. 3, LandoltBornstein, (Springer, Berlin, 1969) (group 111).
- (1969) Ferroelectrics and Related Substances, New Series , vol.3

14
- 0002828457
- P. Ghosez, X. Gonze and J.-P. Michenaud, Ferroelectrics, 220, (1999), 1.
- (1999) Ferroelectrics , vol.220 , pp. 1
- Ghosez, P.¹ Gonze, X.² Michenaud, J.-P.³

15
- 0036827661
- X. Gonze, J.-M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G.-M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, Ph. Ghosez, J.-Y. Raty, D. C. Allan, Computational Materials Science, 25, (2002), 478-492.
- (2002) Computational Materials Science , vol.25 , pp. 478-492
- Gonze, X.¹ Beuken, J.-M.² Caracas, R.³ Detraux, F.⁴ Fuchs, M.⁵ Rignanese, G.-M.⁶ Sindic, L.⁷ Verstraete, M.⁸ Zerah, G.⁹ Jollet, F.¹⁰ Torrent, M.¹¹ Roy, A.¹² Mikami, M.¹³ Ghosez, Ph.¹⁴ Raty, J.-Y.¹⁵ Allan, D.C.¹⁶

16
- 20144367100
- X. Gonze, G.-M. Rignanese, M. Verstraete, J.-M. Beuken, Y. Pouillon, R,. Caracas, F. Jollet, M. Torrent, G. Zerah, M. Mikami, Ph. Ghosez, M. Veithen, J.-Y. Raty, V. Olevano, F. Bruneval, L. Reining, R. Godby, G. Onida, D. R.. Hamann, and D. C. Allan. Zeit. Kristallogr., 220, (2005), 558-562.
- (2005) Zeit. Kristallogr. , vol.220 , pp. 558-562
- Gonze, X.¹ Rignanese, G.-M.² Verstraete, M.³ Beuken, J.-M.⁴ Pouillon, Y.⁵ Caracas, R.⁶ Jollet, F.⁷ Torrent, M.⁸ Zerah, G.⁹ Mikami, M.¹⁰ Ghosez, Ph.¹¹ Veithen, M.¹² Raty, J.-Y.¹³ Olevano, V.¹⁴ Bruneval, F.¹⁵ Reining, L.¹⁶ Godby, R.¹⁷ Onida, G.¹⁸ Hamann, D.R.¹⁹ Allan, D.C.²⁰ more..

17
- 0000224434
- I. Grinberg, N. J. Ramer, and A. M. Rappe, Phys. Rev. B, 62, (2000), 2311.
- (2000) Phys. Rev. B , vol.62 , pp. 2311
- Grinberg, I.¹ Ramer, N.J.² Rappe, A.M.³

18
- 0000824211
- A. M. Rappe, K. M. Rabe, E. Kaxiras and J. D. Joannopoulos, Phys. Rev. B, 41, (1990), 1227.
- (1990) Phys. Rev. B , vol.41 , pp. 1227
- Rappe, A.M.¹ Rabe, K.M.² Kaxiras, E.³ Joannopoulos, J.D.⁴

19
- 0001677027
- X. Gonze, D. C. Allan and M. P. Teter, Phys. P,ev. Lett., 68, (1992), 3603;
- (1992) Phys. P,ev. Lett. , vol.68 , pp. 3603
- Gonze, X.¹ Allan, D.C.² Teter, M.P.³

20
- 0001185827
- C. Lee, Ph Ghosez and X. Gonze, Phys. P,ev. B, 50, (1994), 13379.
- (1994) Phys. P,ev. B , vol.50 , pp. 13379
- Lee, C.¹ Ghosez, Ph.² Gonze, X.³

21
- 0021503905
- N. E. Zein, Sov. Phys., Solid State, 26, 1825 (1984):
- (1984) Sov. Phys., Solid State , vol.26 , pp. 1825
- Zein, N.E.¹

22
- 0000111746
- S. Baroni, P. Giannozzi and A. Testa, Phys. Rev. Lett., 58, (1987), 1861.
- (1987) Phys. Rev. Lett. , vol.58 , pp. 1861
- Baroni, S.¹ Giannozzi, P.² Testa, A.³

23
- 33744678467
- P. Giannozzi, S. de Gironcoli, P. Pavone and S. Baroni, Phys. Rev. B, 43, (1991), 7231.
- (1991) Phys. Rev. B , vol.43 , pp. 7231
- Giannozzi, P.¹ De Gironcoli, S.² Pavone, P.³ Baroni, S.⁴

24
- 0001379294
- X. Gonze, J.-C Charlier, D. C. Alien and M. P. Teter, Phys. Rev. B, 50, (1994), 13035.
- (1994) Phys. Rev. B , vol.50 , pp. 13035
- Gonze, X.¹ Charlier, J.-C.² Alien, D.C.³ Teter, M.P.⁴

25
- 17444438108
- Ph. Ghosez, X. Gonze and J.-P. Michenaud, Ferroelectrics, 206-207, (1998), 205.
- (1998) Ferroelectrics , vol.206-207 , pp. 205
- Ghosez, Ph.¹ Gonze, X.² Michenaud, J.-P.³

26
- 0000339255
- Ph. Ghosez, E. Cockayne, U. V. Waghmare and K. M. Rabe, Phys. Rev. B, 60, (1999), 836.
- (1999) Phys. Rev. B , vol.60 , pp. 836
- Ghosez, Ph.¹ Cockayne, E.² Waghmare, U.V.³ Rabe, K.M.⁴

27
- 41649109629
- Ph. D. Thesis, California Institute of Technology, Pasadena California
- 3", Ph. D. Thesis, California Institute of Technology, Pasadena California (2004).
- (2004) 3
- Zhang, Q.¹

28
- 0036451796
- M. Uludoǧan, T. Çaǧin and W.A. Goddard III, Mater. Res. Soc. Symp. Proc., 718, (2002), 341.
- (2002) Mater. Res. Soc. Symp. Proc. , vol.718 , pp. 341
- Uludoǧan, M.¹ Çaǧin, T.² Goddard III, W.A.³

29
- 0036638236
- Ph. Pruzan, D. Gourdain, J. C. Chrvin, B. Canny, B. Couzinet and M. Hanfland, Solid State Comm., 123, (2002), 21.
- (2002) Solid State Comm. , vol.123 , pp. 21
- Pruzan, Ph.¹ Gourdain, D.² Chrvin, J.C.³ Canny, B.⁴ Couzinet, B.⁵ Hanfland, M.⁶

30
- 23944477301
- R. Khenata, M. Sahnoun, H. Baltache, M. Rerat, A. H. Rashek, N. Illes and B. Bouhafs, Solid State Comm., 136, (2005), 120.
- (2005) Solid State Comm. , vol.136 , pp. 120
- Khenata, R.¹ Sahnoun, M.² Baltache, H.³ Rerat, M.⁴ Rashek, A.H.⁵ Illes, N.⁶ Bouhafs, B.⁷

31
- 0346093929
- S. Piskunov, E. Heifets, R. I. Eglitis and G. Borstel, Cornp. Mater: Sci., 29, (2004), 165.
- (2004) Cornp. Mater: Sci. , vol.29 , pp. 165
- Piskunov, S.¹ Heifets, E.² Eglitis, R.I.³ Borstel, G.⁴

32
- 33751385457
- G. H. Kwei, A. C. Lawson, S. J. L. Billinge and S.W. Cheong, J. Phys. Chem., 97, (1993), 2368.
- (1993) J. Phys. Chem. , vol.97 , pp. 2368
- Kwei, G.H.¹ Lawson, A.C.² Billinge, S.J.L.³ Cheong, S.W.⁴

33
- 0001333195
- G. Shirane, H. Banner and P. Pepinsky, Phys. Rev., 105, (1957), 856.
- (1957) Phys. Rev. , vol.105 , pp. 856
- Shirane, G.¹ Banner, H.² Pepinsky, P.³

34
- 33749375262
- B. C. Frazer, J. Phys. Soc. Japan, SB-II, (1962), 376.
- (1962) J. Phys. Soc. Japan , vol.SB-II , pp. 376
- Frazer, B.C.¹

35
- 84978580504
- J. Harada, T. Pedersen and Z. Barnea, Acta Cryst., A26, (1970), 336.
- (1970) Acta Cryst. , vol.A26 , pp. 336
- Harada, J.¹ Pedersen, T.² Barnea, Z.³

36
- 0002090694
- R. D. King-Smith and D. Vanderbilt, Ferroelectrics, 136, (1992), 85.
- (1992) Ferroelectrics , vol.136 , pp. 85
- King-Smith, R.D.¹ Vanderbilt, D.²

37
- 0000414882
- J. Meister and W. H. E. Schwarz, J. Phys. Chem., 98, (1994), 8245.
- (1994) J. Phys. Chem. , vol.98 , pp. 8245
- Meister, J.¹ Schwarz, W.H.E.²

38
- 3543103556
- R.D. King-Smith and D. Vanderbilt, Phys. Rev. B, 47, (1993), 1651.
- (1993) Phys. Rev. B , vol.47 , pp. 1651
- King-Smith, R.D.¹ Vanderbilt, D.²

39
- 36149010085
- R. H. Lyddane, R. G. Sachs and E. Teller, Phys. Rev., 59, (1941), 673.
- (1941) Phys. Rev. , vol.59 , pp. 673
- Lyddane, R.H.¹ Sachs, R.G.² Teller, E.³

40
- 34547584904
- J.D. Axe, Phys. Rev., 157, (1967), 429.
- (1967) Phys. Rev. , vol.157 , pp. 429
- Axe, J.D.¹

41
- 0003464333
- Freeman, San Fransisco
- W. A. Harrison, Electronic Structure and the Properties of Solids, (Freeman, San Fransisco, 1980).
- (1980) Electronic Structure and the Properties of Solids
- Harrison, W.A.¹

42
- 0001076146
- Ph. Ghosez, X. Gonze, Ph. Lambin and J.-P. Michenaud, Phys. Rev. B, 51, (1995), 6765.
- (1995) Phys. Rev. B , vol.51 , pp. 6765
- Ghosez, Ph.¹ Gonze, X.² Lambin, Ph.³ Michenaud, J.-P.⁴

43
- 0001135836
- P. Ghosez, J.-P. Michenaud and X. Gonze, Phys. Rev. B, 58, (1998), 6224.
- (1998) Phys. Rev. B , vol.58 , pp. 6224
- Ghosez, P.¹ Michenaud, J.-P.² Gonze, X.³

44
- 0041068418
- W. Zhong, R. D. King-Smith and D. Vanderbilt, Phys. Rev. Lett., 72, (1994), 3618.
- (1994) Phys. Rev. Lett. , vol.72 , pp. 3618
- Zhong, W.¹ King-Smith, R.D.² Vanderbilt, D.³

45
- 0034292724
- Ph. Ghosez, X. Gonze, J. Phys.: Condens. Matter, 12, (2000), 9179.
- (2000) J. Phys.: Condens. Matter , vol.12 , pp. 9179
- Ghosez, Ph.¹ Gonze, X.²

46
- 0037116103
- M. Veithen, X. Gonze and Ph. Ghosez, Phys. Rev. B, 66, (2002), 235113.
- (2002) Phys. Rev. B , vol.66 , pp. 235113
- Veithen, M.¹ Gonze, X.² Ghosez, Ph.³

47
- 33749372036
- T. Mitsumi et al. (Eds.), Landolt-Bornstein Numerical Data and Functional Relationships in Science and Technology, Group 111 (Springer-Verlag, Berlin)
- T. Mitsumi et al. (Eds.), Oxides, Landolt-Bornstein Numerical Data and Functional Relationships in Science and Technology, Group 111, Vol. 16, Pt. a (Springer-Verlag, Berlin, 1981).
- (1981) Oxides , vol.16 , Issue.PART A

48
- 0000876081
- S. Tinte, M. G. Stachiotti, M. Sepliarsky, R.. L. Migoni and C. O. Rodriguez, J. Phys.: Condens. Matter, 11, (1999), 9679.
- (1999) J. Phys.: Condens. Matter , vol.11 , pp. 9679
- Tinte, S.¹ Stachiotti, M.G.² Sepliarsky, M.³ Migoni, R.L.⁴ Rodriguez, C.O.⁵

49
- 0020114696
- G. Burns and F. H. Dacol, Solid State Comm., 42, (1982), 9.
- (1982) Solid State Comm. , vol.42 , pp. 9
- Burns, G.¹ Dacol, F.H.²

50
- 0027115880
- R,. E. Cohen, Nature, 358, (1992), 136.
- (1992) Nature , vol.358 , pp. 136
- Cohen, R.E.¹

51
- 4243180396
- G. Shirane, B. C. Frazer, V. J. Minkiewicz and J. A. Leake, Phys. Rev. Lett., 19, (1967), 234.
- (1967) Phys. Rev. Lett. , vol.19 , pp. 234
- Shirane, G.¹ Frazer, B.C.² Minkiewicz, V.J.³ Leake, J.A.⁴

52
- 1842858232
- B. Jannot, C. Escribe-Filippini and J. Bouillot, J. Phys. C: Solid State Phys., 17, (1984), 1329.
- (1984) J. Phys. C: Solid State Phys. , vol.17 , pp. 1329
- Jannot, B.¹ Escribe-Filippini, C.² Bouillot, J.³

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.