-
1
-
-
0001437693
-
Band theory and Mott insulators: Hubbard U instead of Stoner I
-
Anisimov, V.I., Zaanen, J. & Andersen, O.K. (1991) Band theory and Mott insulators: Hubbard U instead of Stoner I. Phys. Rev. B, 44, 943-954.
-
(1991)
Phys. Rev. B
, vol.44
, pp. 943-954
-
-
Anisimov, V.I.1
Zaanen, J.2
Andersen, O.K.3
-
2
-
-
0001331846
-
3d semicore states in ZnSe, GaAs and Ge
-
Ariasetiawan, F. & Gunnarsson, O. (1996) 3d semicore states in ZnSe, GaAs and Ge. Phys. Rev. B, 54, 17564-17567.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 17564-17567
-
-
Ariasetiawan, F.1
Gunnarsson, O.2
-
4
-
-
0017675704
-
Carbon biomedical devices
-
Bokros, J.C. (1977) Carbon biomedical devices. Carbon, 15, 355-371.
-
(1977)
Carbon
, vol.15
, pp. 355-371
-
-
Bokros, J.C.1
-
9
-
-
0035109720
-
Density functional modelling of core hole effects in electron energy loss near edge spectra
-
Elsässer, C. & Köstlmeier, S. (2001) Density functional modelling of core hole effects in electron energy loss near edge spectra. Ultramicroscopy, 86, 325-337.
-
(2001)
Ultramicroscopy
, vol.86
, pp. 325-337
-
-
Elsässer, C.1
Köstlmeier, S.2
-
10
-
-
0034898356
-
Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia
-
Fabris, S., Paxton, A.T. & Finnis, M.W. (2001) Free energy and molecular dynamics calculations for the cubic-tetragonal phase transition in zirconia. Phys. Rev. B, 63, 94101-94114.
-
(2001)
Phys. Rev. B
, vol.63
, pp. 94101-94114
-
-
Fabris, S.1
Paxton, A.T.2
Finnis, M.W.3
-
11
-
-
0037016012
-
A stabilisation mechanism of zirconia based on oxygen vacancies only
-
Fabris, S., Paxton, A.T. & Finnis, M.W. (2002) A stabilisation mechanism of zirconia based on oxygen vacancies only. Acta Materialia, 50, 5171-5178.
-
(2002)
Acta Materialia
, vol.50
, pp. 5171-5178
-
-
Fabris, S.1
Paxton, A.T.2
Finnis, M.W.3
-
13
-
-
22144469121
-
Effects of electron-electron and electron-phonon interactions on the one electron states of solids
-
ed. by F. Seitz, D. Turnbull and H. Ehrenreich. Academic Press, New York
-
Hedin, L. & Lundqvist, S. (1969) Effects of electron-electron and electron-phonon interactions on the one electron states of solids. Solid State Physics (ed. by F. Seitz, D. Turnbull and H. Ehrenreich) 23, 1-181. Academic Press, New York.
-
(1969)
Solid State Physics
, vol.23
, pp. 1-181
-
-
Hedin, L.1
Lundqvist, S.2
-
14
-
-
0000058492
-
i in density functional theory
-
i in density functional theory. Phys. Rev. B, 18, 7165-7168.
-
(1978)
Phys. Rev. B
, vol.18
, pp. 7165-7168
-
-
Janak, J.F.1
-
15
-
-
51149210200
-
The density functional formalism, its applications and prospects
-
Jones, R.O. & Gunnarsson, O. (1989) The density functional formalism, its applications and prospects. Rev. Mod. Phys. 61, 689-746.
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 689-746
-
-
Jones, R.O.1
Gunnarsson, O.2
-
16
-
-
0000059497
-
Theory of extended x-ray absorption fine structure
-
Lee, P.A. & Pendry, J.B. (1975) Theory of extended x-ray absorption fine structure. Phys. Rev. B, 11, 2795-2811.
-
(1975)
Phys. Rev. B
, vol.11
, pp. 2795-2811
-
-
Lee, P.A.1
Pendry, J.B.2
-
18
-
-
0000286107
-
Stability of carbon nitride solids
-
Liu, A.Y. & Wentzcovitch, R.M. (1994) Stability of carbon nitride solids. Phys. Rev. B, 50, 10362-10365.
-
(1994)
Phys. Rev. B
, vol.50
, pp. 10362-10365
-
-
Liu, A.Y.1
Wentzcovitch, R.M.2
-
19
-
-
85167475565
-
The use of XANES and ELNES for the characterisation of stabilised zirconia
-
(ed. by Rosario A. Gerhardt et al.). Materials Research Society, Warrendale
-
McComb, D.W., Ostanin, S., Vlachos, D., Craven, A.J., Finnis, M.W., Paxton, A.T. & Alavi, A. (2002) The use of XANES and ELNES for the characterisation of stabilised zirconia. Electrically Based Microstructural Characterization III (ed. by Rosario A. Gerhardt et al.). Materials Research Society, Warrendale.
-
(2002)
Electrically Based Microstructural Characterization III
-
-
McComb, D.W.1
Ostanin, S.2
Vlachos, D.3
Craven, A.J.4
Finnis, M.W.5
Paxton, A.T.6
Alavi, A.7
-
20
-
-
0003439819
-
A full potential LMTO method based on smooth Hankel functions
-
ed. by H. Dreyssé. Springer Verlag, Berlin
-
Methfessel, M., van Schilfgaarde, M. & Casali, R.A. (2000) A full potential LMTO method based on smooth Hankel functions. Electronic Structure and Physical Properties of Solids (ed. by H. Dreyssé), pp. 114-167. Springer Verlag, Berlin.
-
(2000)
Electronic Structure and Physical Properties of Solids
, pp. 114-167
-
-
Methfessel, M.1
Van Schilfgaarde, M.2
Casali, R.A.3
-
21
-
-
0542371844
-
Connections between the electron energy loss spectra, the local electronic structure, and the physical properties of a material: A study of nickel aluminium alloys
-
Muller, D.A., Singh, J. & Silcox, J. (1998) Connections between the electron energy loss spectra, the local electronic structure, and the physical properties of a material: a study of nickel aluminium alloys. Phys. Rev. B. 57, 8181-8202.
-
(1998)
Phys. Rev. B.
, vol.57
, pp. 8181-8202
-
-
Muller, D.A.1
Singh, J.2
Silcox, J.3
-
22
-
-
0034451426
-
Effect of relaxation on the oxygen K-edge electron energy loss near edge structure in yttria-stabilised zirconia
-
Ostanin, S., Craven, A.J., McComb, D.W., Vlachos, D., Alavi, A., Finnis, M.W. & Paxton. A.T. (2001) Effect of relaxation on the oxygen K-edge electron energy loss near edge structure in yttria-stabilised zirconia. Phys. Rev. B. 62, 14728-14735.
-
(2001)
Phys. Rev. B.
, vol.62
, pp. 14728-14735
-
-
Ostanin, S.1
Craven, A.J.2
McComb, D.W.3
Vlachos, D.4
Alavi, A.5
Finnis, M.W.6
Paxton, A.T.7
-
23
-
-
0036612893
-
Electron energy loss near edge shape as a probe to investigate the stabilisation of yttria-stabilised zirconia
-
Ostanin, S., Craven, A.J., McComb, D.W., Vlachos, D., Alavi, A., Paxton, A.T. & Finnis, M.W. (2002) Electron energy loss near edge shape as a probe to investigate the stabilisation of yttria-stabilised zirconia. Phys. Rev. B. 65, 224109-224118.
-
(2002)
Phys. Rev. B.
, vol.65
, pp. 224109-224118
-
-
Ostanin, S.1
Craven, A.J.2
McComb, D.W.3
Vlachos, D.4
Alavi, A.5
Paxton, A.T.6
Finnis, M.W.7
-
25
-
-
7044271489
-
The near edge structure in energy loss spectroscopy: Many electron and magnetic effects in transition metal nitrides and carbides
-
Paxton, A.T., van Schilfgaarde, M., MacKenzie, M. & Craven, A.J. (2000) The near edge structure in energy loss spectroscopy: many electron and magnetic effects in transition metal nitrides and carbides. J. Phys. Condens. Matter, 12, 729-750.
-
(2000)
J. Phys. Condens. Matter.
, vol.12
, pp. 729-750
-
-
Paxton, A.T.1
Van Schilfgaarde, M.2
MacKenzie, M.3
Craven, A.J.4
-
29
-
-
0031678230
-
Computational alchemy: The search for new superhard materials
-
Teter, D.M. (1998) Computational alchemy: the search for new superhard materials. MRS Bulletin, 23, No. 1, 22-27.
-
(1998)
MRS Bulletin
, vol.23
, Issue.1
, pp. 22-27
-
-
Teter, D.M.1
-
30
-
-
0035803402
-
The influence of dopant concentration on the O K-edge ELNES and XANES in yttria-stabilised zirconia
-
Vlachos, D., Craven, A. J. & McComb, D.W. (2001) The influence of dopant concentration on the O K-edge ELNES and XANES in yttria-stabilised zirconia. J. Phys. C: Condensed Matter. 13, 10799-10809.
-
(2001)
J. Phys. C: Condensed Matter.
, vol.13
, pp. 10799-10809
-
-
Vlachos, D.1
Craven, A.J.2
McComb, D.W.3
|