-
1
-
-
33644945726
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.96.107603.
-
G. Gerra, A. K. Tagantsev, N. Setter, and K. Parlinski, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.107603 96, 107603 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 107603
-
-
Gerra, G.1
Tagantsev, A.K.2
Setter, N.3
Parlinski, K.4
-
2
-
-
27144458499
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.72.020101.
-
N. Sai, A. M. Kolpak, and A. M. Rappe, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.020101 72, 020101 (2005).
-
(2005)
Phys. Rev. B
, vol.72
, pp. 020101
-
-
Sai, N.1
Kolpak, A.M.2
Rappe, A.M.3
-
3
-
-
33645410299
-
-
NALEFD 1530-6984 10.1021/nl052452l.
-
C. G. Duan, R. F. Sabirianov, W. N. Mei, S. S. Jaswal, and E. Y. Tsymbal, Nano Lett. NALEFD 1530-6984 10.1021/nl052452l 6, 3 (2006).
-
(2006)
Nano Lett.
, vol.6
, pp. 3
-
-
Duan, C.G.1
Sabirianov, R.F.2
Mei, W.N.3
Jaswal, S.S.4
Tsymbal, E.Y.5
-
4
-
-
33745293707
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.235422.
-
M. Núñez and M. Buongiorno Nardelli, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.235422 73, 235422 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 235422
-
-
Núñez, M.1
Buongiorno Nardelli, M.2
-
5
-
-
46049105260
-
-
Electronic structure calculations have been performed using the PWscf package ().
-
Electronic structure calculations have been performed using the PWscf package (S. Baroni, A. Dal Corso, S. De Gironcoli, and P. Giannozzi, http://www.pwscf.org).
-
-
-
Baroni, S.1
Dal Corso, A.2
De Gironcoli, S.3
Giannozzi, P.4
-
6
-
-
3543103556
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.47.1651.
-
R. D. King-Smith and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.47.1651 47, 1651 (1993).
-
(1993)
Phys. Rev. B
, vol.47
, pp. 1651
-
-
King-Smith, R.D.1
Vanderbilt, D.2
-
7
-
-
12044256522
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.66.899.
-
R. Resta, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.66.899 66, 899 (1994).
-
(1994)
Rev. Mod. Phys.
, vol.66
, pp. 899
-
-
Resta, R.1
-
8
-
-
0002816014
-
-
FEROA8 0015-0193 10.1080/00150199208016065.
-
R. Resta, Ferroelectrics FEROA8 0015-0193 10.1080/00150199208016065 136, 51 (1992).
-
(1992)
Ferroelectrics
, vol.136
, pp. 51
-
-
Resta, R.1
-
9
-
-
33748553999
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.97.107602.
-
X. Wu, O. Dieguez, K. M. Rabe, and D. Vanderbilt, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.97.107602 97, 107602 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.97
, pp. 107602
-
-
Wu, X.1
Dieguez, O.2
Rabe, K.M.3
Vanderbilt, D.4
-
10
-
-
4243690324
-
-
We used the maximally localized Wannier functions [, PRBMDO 0163-1829 10.1103/PhysRevB.56.12847, ()] as implemented in the WanT code () for the determination of the Wannier centers. The disentanglement procedure [, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035109 65, 035109 (2001)] was applied before starting the localization algorithm, since the bands of the metal and the valence bands of the oxide are mixed in the full supercell calculation.
-
We used the maximally localized Wannier functions [N. Marzari and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.12847 56, 12847 (1997)] as implemented in the WanT code (A. Ferretti, B. Bonferroni, A. Calzolari, and M. Buongiorno Nardelli, http://www.wannier-transport.org) for the determination of the Wannier centers. The disentanglement procedure [I. Souza, N. Marzari, and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.035109 65, 035109 (2001)] was applied before starting the localization algorithm, since the bands of the metal and the valence bands of the oxide are mixed in the full supercell calculation.
-
(1997)
Phys. Rev. B
, vol.56
, pp. 12847
-
-
Marzari, N.1
Vanderbilt, D.2
Ferretti, A.3
Bonferroni, B.4
Calzolari, A.5
Buongiorno Nardelli, M.6
Souza, I.7
Marzari, N.8
Vanderbilt, D.9
-
11
-
-
46049100944
-
-
Onset of ferroelectricity and the hidden nature of nanoscale polarization in ferroelectric thin films (submitted)
-
M. Núñez and M. Buongiorno Nardelli, " Onset of ferroelectricity and the hidden nature of nanoscale polarization in ferroelectric thin films.," Phys. Rev. Lett. (submitted).
-
Phys. Rev. Lett.
-
-
Núñez, M.1
Buongiorno Nardelli, M.2
-
12
-
-
0037417284
-
-
NATUAS 0028-0836 10.1038/nature01501.
-
J. Junquera and P. Ghosez, Nature (London) NATUAS 0028-0836 10.1038/nature01501 422, 506 (2003).
-
(2003)
Nature (London)
, vol.422
, pp. 506
-
-
Junquera, J.1
Ghosez, P.2
-
14
-
-
0001048516
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.44.5572.
-
L. Colombo, R. Resta, and S. Baroni, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.44.5572 44, 5572 (1991).
-
(1991)
Phys. Rev. B
, vol.44
, pp. 5572
-
-
Colombo, L.1
Resta, R.2
Baroni, S.3
-
15
-
-
0037841724
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.67.155327.
-
J. Junquera, M. Zimmer, P. Ordejon, and P. Ghosez, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.155327 67, 155327 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 155327
-
-
Junquera, J.1
Zimmer, M.2
Ordejon, P.3
Ghosez, P.4
|