-
3
-
-
37049049505
-
-
10.1039/jr9590003815 0368-1769
-
Orgel L E 1959 J. Chem. Soc. 1959 3815
-
(1959)
J. Chem. Soc.
, vol.1959
, pp. 3815
-
-
Orgel, L.E.1
-
6
-
-
0035978933
-
3
-
DOI 10.1016/S0925-8388(01)00951-3, PII S0925838801009513
-
Wang X, Cui Q, Pan Y, Gao W, Zhang J and Zou G 2001 J. Alloys Compounds 321 72 (Pubitemid 32408542)
-
(2001)
Journal of Alloys and Compounds
, vol.321
, Issue.1
, pp. 72-75
-
-
Wang, X.1
Cui, Q.2
Pan, Y.3
Gao, W.4
Zhang, J.5
Zou, G.6
-
7
-
-
42749105960
-
2-based materials
-
DOI 10.1103/PhysRevB.70.205121, 205121
-
Suehara S et al 2004 Phys. Rev. B 70 205121 (Pubitemid 40153518)
-
(2004)
Physical Review B - Condensed Matter and Materials Physics
, vol.70
, Issue.20
, pp. 2051211-2051217
-
-
Suehara, S.1
Thomas, P.2
Mirgorodsky, A.P.3
Merle-Mejean, T.4
Champarnaud-Mesjard, J.C.5
Aizawa, T.6
Hishita, S.7
Todoroki, S.8
Konishi, T.9
Inoue, S.10
-
8
-
-
33845549569
-
Theoretical investigation of magnetoelectric behavior in BiFe O3
-
DOI 10.1103/PhysRevB.74.224412
-
Ravindran P, Vidya R, Kjekshus A, Fjellvåg H and Eriksson O 2006 Phys. Rev. B 74 224412 (Pubitemid 44927308)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.22
, pp. 224412
-
-
Ravindran, P.1
Vidya, R.2
Kjekshus, A.3
Fjellvag, H.4
Eriksson, O.5
-
10
-
-
0035197601
-
-
10.1002/1521-4079(200111)36:11<1175::AID-CRAT1175>3.0. CO;2-T 0232-1300
-
Becker P and Bohatý L 2001 Cryst. Res. Technol. 36 1175
-
(2001)
Cryst. Res. Technol.
, vol.36
, pp. 1175
-
-
Becker, P.1
Bohatý, L.2
-
12
-
-
84857738934
-
-
10.1103/PhysRevB.85.085207 B 085207
-
Sallis S, Piper L F J, Francis J, Tate J, Hiramatsu H, Kamiya T and Hosono H 2012 Phys. Rev. B 85 085207
-
(2012)
Phys. Rev.
, vol.85
-
-
Sallis, S.1
Piper, L.F.J.2
Francis, J.3
Tate, J.4
Hiramatsu, H.5
Kamiya, T.6
Hosono, H.7
-
17
-
-
0035121273
-
Origin of the electron distribution in SnO
-
DOI 10.1063/1.1331102
-
Watson G W 2001 J. Chem. Phys. 114 758 (Pubitemid 32138509)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.2
, pp. 758-763
-
-
Watson, G.W.1
-
19
-
-
0000529176
-
-
10.1103/PhysRevLett.59.2471 0031-9007
-
Lefebvre I, Lannoo M, Allan G, Ibanez A, Fourcade J, Jumas J C and Beaurepaire E 1987 Phys. Rev. Lett. 59 2471
-
(1987)
Phys. Rev. Lett.
, vol.59
, pp. 2471
-
-
Lefebvre, I.1
Lannoo, M.2
Allan, G.3
Ibanez, A.4
Fourcade, J.5
Jumas, J.C.6
Beaurepaire, E.7
-
20
-
-
27144490017
-
Influence of the anion on lone pair formation in Sn(II) monochalcogenides: A DFT study
-
DOI 10.1021/jp051822r
-
Walsh A and Watson G W 2005 J. Phys. Chem. B 109 18868 (Pubitemid 41505111)
-
(2005)
Journal of Physical Chemistry B
, vol.109
, Issue.40
, pp. 18868-18875
-
-
Walsh, A.1
Watson, G.W.2
-
22
-
-
33644928999
-
-
10.1016/j.solidstatesciences.2006.02.020 1293-2558
-
Seshadri R 2006 Solid State Sci. 8 259
-
(2006)
Solid State Sci.
, vol.8
, pp. 259
-
-
Seshadri, R.1
-
23
-
-
17644373071
-
The origin of the stereochemically active Pb(II) lone pair: DFT calculations on PbO and PbS
-
DOI 10.1016/j.jssc.2005.01.030, PII S0022459605000472
-
Walsh A and Watson G W 2005 J. Solid State Chem. 178 1422 (Pubitemid 40567655)
-
(2005)
Journal of Solid State Chemistry
, vol.178
, Issue.5
, pp. 1422-1428
-
-
Walsh, A.1
Watson, G.W.2
-
24
-
-
79959439586
-
-
10.1063/1.3593012 212110
-
Payne D J, Robinson M D M, Egdell R G, Walsh A, Mcnulty J, Smith K E and Piper L F J 2011 Appl. Phys. Lett. 98 212110
-
(2011)
Appl. Phys. Lett.
, vol.98
-
-
Payne, D.J.1
Robinson, M.D.M.2
Egdell, R.G.3
Walsh, A.4
McNulty, J.5
Smith, K.E.6
Piper, L.F.J.7
-
26
-
-
34249724136
-
-
10.1021/ic061157g
-
Stoltzfus M W, Woodward P M, Seshadri R, Klepeis J-H and Bursten B 2007 Inorg. Chem. 46 3839
-
(2007)
Inorg. Chem.
, vol.46
, pp. 3839
-
-
Stoltzfus, M.W.1
Woodward, P.M.2
Seshadri, R.3
Klepeis, J.-H.4
Bursten, B.5
-
27
-
-
33646203773
-
-
10.1103/PhysRevLett.96.157403 157403
-
Payne D J, Egdell R G, Walsh A, Watson G W, Guo J, Glans P A, Learmonth T and Smith K E 2006 Phys. Rev. Lett. 96 157403
-
(2006)
Phys. Rev. Lett.
, vol.96
-
-
Payne, D.J.1
Egdell, R.G.2
Walsh, A.3
Watson, G.W.4
Guo, J.5
Glans, P.A.6
Learmonth, T.7
Smith, K.E.8
-
33
-
-
0000126892
-
-
10.1103/PhysRevB.54.16470 0163-1829 B
-
Savrasov S Y 1996 Phys. Rev. B 54 16470
-
(1996)
Phys. Rev.
, vol.54
, pp. 16470
-
-
Savrasov, S.Y.1
-
34
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
-
Kresse G and Furthmüller J 1996 Comput. Mater. Sci. 6 15 (Pubitemid 126412269)
-
(1996)
Computational Materials Science
, vol.6
, Issue.1
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
37
-
-
33846003158
-
2
-
DOI 10.1039/b612323f
-
Payne D J, Egdell R G, Law D S L, Glans P-A, Learmonth T, Smith K E, Guo J, Walsh A and Watson G W 2007 J. Mater. Chem. 17 267 (Pubitemid 46052110)
-
(2007)
Journal of Materials Chemistry
, vol.17
, Issue.3
, pp. 267-277
-
-
Payne, D.J.1
Egdell, R.G.2
Law, D.S.L.3
Glans, P.-A.4
Learmonth, T.5
Smith, K.E.6
Guo, J.7
Walsh, A.8
Watson, G.W.9
-
38
-
-
33744921879
-
Electronic structure of the α and δ phases of Bi2 O3: A combined ab initio and x-ray spectroscopy study
-
DOI 10.1103/PhysRevB.73.235104
-
Walsh A, Watson G W, Payne D J, Edgell R G, Guo J, Glans P-A, Learmonth T and Smith K E 2006 Phys. Rev. B 73 235104 (Pubitemid 43849224)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.23
, pp. 235104
-
-
Walsh, A.1
Watson, G.W.2
Payne, D.J.3
Edgell, R.G.4
Guo, J.5
Glans, P.-A.6
Learmonth, T.7
Smith, K.E.8
|