SCOPUS 정보 검색 플랫폼

Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 13, 2010, Pages

First-principles accurate total energy surfaces for polar structural distortions of BaTiO3, PbTiO3, and SrTiO3: Consequences for structural transition temperatures

(4) Nishimatsu, Takeshi a Iwamoto, Masaya a Kawazoe, Yoshiyuki a Waghmare, Umesh V b

a TOHOKU UNIVERSITY (Japan)

b JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (India)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78049364781 PISSN: 10980121 EISSN: 1550235X Source Type: Journal
DOI: 10.1103/PhysRevB.82.134106 Document Type: Article

Times cited : (110)

References (29)

1
- 25044459461
- 10.1103/PhysRevB.49.5828
- R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 49, 5828 (1994). 10.1103/PhysRevB.49.5828
- (1994) Phys. Rev. B , vol.49 , pp. 5828
- King-Smith, R.D.¹ Vanderbilt, D.²

2
- 10444282795
- 10.1143/JJAP.43.6785
- T. Hashimoto, T. Nishimatsu, H. Mizuseki, Y. Kawazoe, A. Sasaki, and Y. Ikeda, Jpn. J. Appl. Phys. 43, 6785 (2004). 10.1143/JJAP.43.6785
- (2004) Jpn. J. Appl. Phys. , vol.43 , pp. 6785
- Hashimoto, T.¹ Nishimatsu, T.² Mizuseki, H.³ Kawazoe, Y.⁴ Sasaki, A.⁵ Ikeda, Y.⁶

3
- 36849128032
- 10.1063/1.1754387
- C. J. Johnson, Appl. Phys. Lett. 7, 221 (1965). 10.1063/1.1754387
- (1965) Appl. Phys. Lett. , vol.7 , pp. 221
- Johnson, C.J.¹

4
- 33746213882
- 10.1103/PhysRevB.52.6301
- W. Zhong, D. Vanderbilt, and K. M. Rabe, Phys. Rev. B 52, 6301 (1995). 10.1103/PhysRevB.52.6301
- (1995) Phys. Rev. B , vol.52 , pp. 6301
- Zhong, W.¹ Vanderbilt, D.² Rabe, K.M.³

5
- 51749097066
- 10.1103/PhysRevB.78.104104
- T. Nishimatsu, U. V. Waghmare, Y. Kawazoe, and D. Vanderbilt, Phys. Rev. B 78, 104104 (2008). 10.1103/PhysRevB.78.104104
- (2008) Phys. Rev. B , vol.78 , pp. 104104
- Nishimatsu, T.¹ Waghmare, U.V.² Kawazoe, Y.³ Vanderbilt, D.⁴

6
- 0343323075
- 10.1103/PhysRevB.55.6161
- U. V. Waghmare and K. M. Rabe, Phys. Rev. B 55, 6161 (1997). 10.1103/PhysRevB.55.6161
- (1997) Phys. Rev. B , vol.55 , pp. 6161
- Waghmare, U.V.¹ Rabe, K.M.²

7
- 34547607926
- K. M. Rabe and U. V. Waghmare, Ferroelectrics 136, 147 (1992).
- (1992) Ferroelectrics , vol.136 , pp. 147
- Rabe, K.M.¹ Waghmare, U.V.²

8
- 33745208986
- 10.1103/PhysRevB.73.235116
- Z. G. Wu and R. E. Cohen, Phys. Rev. B 73, 235116 (2006). 10.1103/PhysRevB.73.235116
- (2006) Phys. Rev. B , vol.73 , pp. 235116
- Wu, Z.G.¹ Cohen, R.E.²

9
- 42049093445
- 10.1103/PhysRevB.77.165107
- D. I. Bilc, R. Orlando, R. Shaltaf, G.-M. Rignanese, J. Íñiguez, and P. Ghosez, Phys. Rev. B 77, 165107 (2008). 10.1103/PhysRevB.77.165107
- (2008) Phys. Rev. B , vol.77 , pp. 165107
- Bilc, D.I.¹ Orlando, R.² Shaltaf, R.³ Rignanese, G.-M.⁴ Íñiguez, J.⁵ Ghosez, P.⁶

10
- 53849145025
- 10.1103/PhysRevB.78.104116
- R. Wahl, D. Vogtenhuber, and G. Kresse, Phys. Rev. B 78, 104116 (2008). 10.1103/PhysRevB.78.104116
- (2008) Phys. Rev. B , vol.78 , pp. 104116
- Wahl, R.¹ Vogtenhuber, D.² Kresse, G.³

11
- 0036827661
- 10.1016/S0927-0256(02)00325-7
- 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, P. Ghosez, J.-Y. Raty, and D. C. Allan, Comput. Mater. Sci. 25, 478 (2002). 10.1016/S0927-0256(02)00325-7
- (2002) Comput. Mater. Sci. , vol.25 , pp. 478
- 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, P.¹⁴ Raty, J.-Y.¹⁵ Allan, D.C.¹⁶

12
- 70449533121
- 10.1016/j.cpc.2009.07.007
- X. Gonze, B. Amadon, P.-M. Anglade, J.-M. Beuken, F. Bottin, P. Boulanger, F. Bruneval, D. Caliste, R. Caracas, M. Cote, T. Deutsch, L. Genovese, P. Ghosez, M. Giantomassi, S. Goedecker, D. R. Hamann, P. Hermet, F. Jollet, G. Jomard, S. Leroux, M. Mancini, S. Mazevet, M. J. T. Oliveira, G. Onida, Y. Pouillon, T. Rangel, G.-M. Rignanese, D. Sangalli, R. Shaltaf, M. Torrent, M. J. Verstraete, G. Zerah, and J. W. Zwanziger, Comput. Phys. Commun. 180, 2582 (2009). 10.1016/j.cpc.2009.07.007
- (2009) Comput. Phys. Commun. , vol.180 , pp. 2582
- Gonze, X.¹ Amadon, B.² Anglade, P.-M.³ Beuken, J.-M.⁴ Bottin, F.⁵ Boulanger, P.⁶ Bruneval, F.⁷ Caliste, D.⁸ Caracas, R.⁹ Cote, M.¹⁰ Deutsch, T.¹¹ Genovese, L.¹² Ghosez, P.¹³ Giantomassi, M.¹⁴ Goedecker, S.¹⁵ Hamann, D.R.¹⁶ Hermet, P.¹⁷ Jollet, F.¹⁸ Jomard, G.¹⁹ Leroux, S.²⁰ more..

13
- 0000160164
- 10.1103/PhysRevB.54.1703
- S. Goedecker, M. Teter, and J. Hutter, Phys. Rev. B 54, 1703 (1996). 10.1103/PhysRevB.54.1703
- (1996) Phys. Rev. B , vol.54 , pp. 1703
- Goedecker, S.¹ Teter, M.² Hutter, J.³

14
- 0001608014
- 10.1103/PhysRevB.48.5031
- M. Teter, Phys. Rev. B 48, 5031 (1993). 10.1103/PhysRevB.48.5031
- (1993) Phys. Rev. B , vol.48 , pp. 5031
- Teter, M.¹

15
- 4243943295
- 10.1103/PhysRevLett.77.3865
- J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

16
- 0000824211
- 10.1103/PhysRevB.41.1227
- A. M. Rappe, K. M. Rabe, E. Kaxiras, and J. D. Joannopoulos, Phys. Rev. B 41, 1227 (1990). 10.1103/PhysRevB.41.1227
- (1990) Phys. Rev. B , vol.41 , pp. 1227
- Rappe, A.M.¹ Rabe, K.M.² Kaxiras, E.³ Joannopoulos, J.D.⁴

17
- 78049361005
- OPIUM-pseudopotential generation project
- OPIUM-pseudopotential generation project, 2009, http://opium.sourceforge. net/
- (2009)

18
- 0001096933
- 10.1103/PhysRevB.55.10355
- X. Gonze and C. Lee, Phys. Rev. B 55, 10355 (1997). 10.1103/PhysRevB.55. 10355
- (1997) Phys. Rev. B , vol.55 , pp. 10355
- Gonze, X.¹ Lee, C.²

19
- 78049397681
- See supplementary material at http://link.aps.org/supplemental/10.1103/ PhysRevB.82.134106 for brdmin.2010-03-02.patch, a patch file for src/21drive/brdmin.F90 in ABINIT versions 5.7.3 and 5.7.4. Input files for [001], [110], and [111] directions are also placed in the same directory.

20
- 33846361964
- 10.1073/pnas.30.9.244
- F. D. Murnaghan, Proc. Natl. Acad. Sci. U.S.A. 30, 244 (1944). 10.1073/pnas.30.9.244
- (1944) Proc. Natl. Acad. Sci. U.S.A. , vol.30 , pp. 244
- Murnaghan, F.D.¹

21
- 36149027186
- 10.1103/PhysRev.71.809
- F. Birch, Phys. Rev. 71, 809 (1947). 10.1103/PhysRev.71.809
- (1947) Phys. Rev. , vol.71 , pp. 809
- Birch, F.¹

22
- 0001119150
- 10.1016/0022-3697(66)90199-5
- O. L. Anderson, J. Phys. Chem. Solids 27, 547 (1966). 10.1016/0022-3697(66)90199-5
- (1966) J. Phys. Chem. Solids , vol.27 , pp. 547
- Anderson, O.L.¹

23
- 0001471515
- 10.1006/jcph.1998.6171
- S. D. Bond, B. J. Leimkuhler, and B. B. Laird, J. Comput. Phys. 151, 114 (1999). 10.1006/jcph.1998.6171
- (1999) J. Comput. Phys. , vol.151 , pp. 114
- Bond, S.D.¹ Leimkuhler, B.J.² Laird, B.B.³

24
- 0000553158
- H. F. Kay and P. Vousden, Philos. Mag. 40, 1019 (1949).
- (1949) Philos. Mag. , vol.40 , pp. 1019
- Kay, H.F.¹ Vousden, P.²

25
- 0000662736
- 10.1103/PhysRev.80.1105
- G. Shirane, S. Hoshino, and K. Suzuki, Phys. Rev. 80, 1105 (1950). 10.1103/PhysRev.80.1105
- (1950) Phys. Rev. , vol.80 , pp. 1105
- Shirane, G.¹ Hoshino, S.² Suzuki, K.³

26
- 0015628754
- 10.1016/0025-5408(73)90130-X
- A. Okazaki and M. Kawaminami, Mater. Res. Bull. 8, 545 (1973). 10.1016/0025-5408(73)90130-X
- (1973) Mater. Res. Bull. , vol.8 , pp. 545
- Okazaki, A.¹ Kawaminami, M.²

27
- 3543103556
- 10.1103/PhysRevB.47.1651
- R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993). 10.1103/PhysRevB.47.1651
- (1993) Phys. Rev. B , vol.47 , pp. 1651
- King-Smith, R.D.¹ Vanderbilt, D.²

28
- 0036612088
- 10.1103/PhysRevB.65.214111
- K. Leung, E. Cockayne, and A. F. Wright, Phys. Rev. B 65, 214111 (2002). 10.1103/PhysRevB.65.214111
- (2002) Phys. Rev. B , vol.65 , pp. 214111
- Leung, K.¹ Cockayne, E.² Wright, A.F.³

29
- 0037301782
- 10.1103/PhysRevB.67.064106
- S. Tinte, J. Íñiguez, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B 67, 064106 (2003). 10.1103/PhysRevB.67.064106
- (2003) Phys. Rev. B , vol.67 , pp. 064106
- Tinte, S.¹ Íñiguez, J.² Rabe, K.M.³ Vanderbilt, D.⁴

* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.