-
3
-
-
0031897297
-
Reliability of atom column positions in a ternary system determined by quantitative high-resolution transmission electron microscopy
-
Kienzle O, Ernst F,M̈obus G. 1998. Reliability of atom column positions in a ternary system determined by quantitative high-resolution transmission electron microscopy. J. Microsc. Oxf. 190(1-2):144-158
-
(1998)
J. Microsc. Oxf.
, vol.190
, Issue.1-2
, pp. 144-158
-
-
Kienzle, O.1
Ernst, F.2
M̈obus, G.3
-
4
-
-
0032025492
-
Atomistic structure of = 3, (111) grain boundaries in strontium titanate
-
Kienzle O, Exner M, Ernst F. 1998. Atomistic structure of = 3, (111) grain boundaries in strontium titanate. Phys. Status Solid. A 166(1):57-71
-
(1998)
Phys. Status Solid. A
, vol.166
, Issue.1
, pp. 57-71
-
-
Kienzle, O.1
Exner, M.2
Ernst, F.3
-
5
-
-
0029771338
-
Grain boundary structure and composition in strontium titanate
-
Pan X, Gu H, Stemmer S, R̈uhle M. 1996. Grain boundary structure and composition in strontium titanate. Mater. Sci. Forum 207(1):421-424
-
(1996)
Mater. Sci. Forum
, vol.207
, Issue.1
, pp. 421-424
-
-
Pan, X.1
Gu, H.2
Stemmer, S.3
R̈uhle, M.4
-
6
-
-
0027742070
-
Atomic structure of undoped Σ = 5 symmetrical tilt grain boundary in strontium titanate
-
DOI 10.1016/0304-3991(93)90073-7
-
Ravikumar V, Dravid VP. 1993. Atomic structure of undoped = 5 symmetrical tilt grain boundary in strontium titanate. Ultramicroscopy 52(3-4):557-563 (Pubitemid 24051264)
-
(1993)
Ultramicroscopy
, vol.52
, Issue.3-4
, pp. 557-563
-
-
Ravikumar, V.1
Dravid, V.P.2
-
7
-
-
0030193596
-
Direct experimental determination of the atomic structure at internal interfaces
-
Browning ND, Pennycook SJ. 1996. Direct experimental determination of the atomic structure at internal interfaces. J. Phys. D 29(7):1779-1798
-
(1996)
J. Phys. D
, vol.29
, Issue.7
, pp. 1779-1798
-
-
Browning, N.D.1
Pennycook, S.J.2
-
8
-
-
0028152817
-
Direct determination of grain-boundary atomic-structure in SrTiO3
-
McGibbon MM, Browning ND, Chisholm MF, McGibbon AJ, Pennycook SJ et al. 1994. Direct determination of grain-boundary atomic-structure in SrTiO3. Science 266(5182):102-104
-
(1994)
Science
, vol.266
, Issue.5182
, pp. 102-104
-
-
McGibbon, M.M.1
Browning, N.D.2
Chisholm, M.F.3
McGibbon, A.J.4
Pennycook, S.J.5
-
9
-
-
0034244312
-
Atomic structure and properties of the (310) symmetrical tilt grain boundary (STGB) in SrTiO3. I. Atomistic simulations
-
Ravikumar V, Dravid VP, Wolf D. 2000. Atomic structure and properties of the (310) symmetrical tilt grain boundary (STGB) in SrTiO3. I. Atomistic simulations. Interface Sci. 8:157-175
-
(2000)
Interface Sci.
, vol.8
, pp. 157-175
-
-
Ravikumar, V.1
Dravid, V.P.2
Wolf, D.3
-
10
-
-
50049097766
-
Interatomic potentials for strontium titanate: An assessment of their transferability and comparison with density functional theory
-
BenedekNA, Chua ALS, Els̈asser C, Sutton AP, FinnisMW. 2008. Interatomic potentials for strontium titanate: an assessment of their transferability and comparison with density functional theory. Phys. Rev. B 78:064110
-
(2008)
Phys. Rev. B
, vol.78
, pp. 064110
-
-
Benedek, N.A.1
Als, C.2
Els̈asser, C.3
Sutton, A.P.4
Finnis, M.W.5
-
11
-
-
0035262933
-
High-resolution and conventional electron microscopy study of a sigma = 3,[101]{121} twin grain boundary in molybdenum
-
Vystavel T, Penisson JM, Gemperle A. 2001. High-resolution and conventional electron microscopy study of a sigma = 3,[101]{121} twin grain boundary in molybdenum. Philos. Mag. A 81(2):417-429
-
(2001)
Philos. Mag. A
, vol.81
, Issue.2
, pp. 417-429
-
-
Vystavel, T.1
Penisson, J.M.2
Gemperle, A.3
-
12
-
-
0036188953
-
Measurement of the volume expansion of a grain boundary by the phase method
-
Penisson JM, Vystavel T. 2002. Measurement of the volume expansion of a grain boundary by the phase method. Ultramicroscopy 90(2-3):163-170
-
(2002)
Ultramicroscopy
, vol.90
, Issue.2-3
, pp. 163-170
-
-
Penisson, J.M.1
Vystavel, T.2
-
13
-
-
77957012199
-
Quantitative high resolution electron microscopy image matching applied to the strontium titantate-3(112) grain boundary
-
In press
-
Dudeck KJ, Cockayne DJH. 2010. Quantitative high resolution electron microscopy image matching applied to the strontium titantate-3(112) grain boundary. J. Phys. Conf. Ser. In press
-
(2010)
J. Phys. Conf. Ser.
-
-
Dudeck, K.J.1
Cockayne, D.J.H.2
-
14
-
-
77955217529
-
Atomic scale characterization of the SrTiO3-3(112) grain boundary
-
Submitted manuscript
-
Dudeck KJ, Benedek NA, Finnis MW, Cockayne DJH. 2010. Atomic scale characterization of the SrTiO3-3(112) grain boundary. Phys. Rev. B. Submitted manuscript
-
(2010)
Phys. Rev. B.
-
-
Dudeck, K.J.1
Benedek, N.A.2
Finnis, M.W.3
Djh, C.4
-
16
-
-
0021818112
-
Computer-based highly sensitive electron-wave interferometry
-
Takeda M, Ru Q. 1985. Computer-based highly sensitive electron-wave interferometry. Appl. Opt. 24:3068-3071
-
(1985)
Appl. Opt.
, vol.24
, pp. 3068-3071
-
-
Takeda, M.1
Ru, Q.2
-
17
-
-
34848867188
-
Electron holography: Applications to materials questions
-
Lichte H, Formanek P, Lenk A, Linck M, Matzeck C et al. 2007. Electron holography: applications to materials questions. Annu. Rev. Mater. Res. 37:539-588
-
(2007)
Annu. Rev. Mater. Res.
, vol.37
, pp. 539-588
-
-
Lichte, H.1
Formanek, P.2
Lenk, A.3
Linck, M.4
Matzeck, C.5
-
18
-
-
0000763825
-
Microscopy by reconstructed wave-fronts
-
Gabor D. 1949. Microscopy by reconstructed wave-fronts. Proc. R. Soc. Lond. Ser. A 197:454-487
-
(1949)
Proc. R. Soc. Lond. Ser. A
, vol.197
, pp. 454-487
-
-
Gabor, D.1
-
19
-
-
0035014949
-
Phase retrieval and aberration correction in the presence of vortices in high-resolution transmission electron microscopy
-
Allen LJ, Faulkner HML, Oxley MP, Paganin D. 2001. Phase retrieval and aberration correction in the presence of vortices in high-resolution transmission electron microscopy. Ultramicroscopy 88:85-97
-
(2001)
Ultramicroscopy
, vol.88
, pp. 85-97
-
-
Allen, L.J.1
Hml, F.2
Oxley, M.P.3
Paganin, D.4
-
20
-
-
0020412169
-
Non-linear high-resolution image processing of conventional transmission electron micrographs 0.1 theory
-
Kirkland EJ. 1982. Non-linear high-resolution image processing of conventional transmission electron micrographs 0.1 theory. Ultramicroscopy 9:45-64
-
(1982)
Ultramicroscopy
, vol.9
, pp. 45-64
-
-
Kirkland, E.J.1
-
21
-
-
0020849487
-
Deterministic phase retrieval: AGreens function solution
-
Teague MR. 1983. Deterministic phase retrieval: aGreens function solution. J. Opt. Soc. Am. 73:1434-1441
-
(1983)
J. Opt. Soc. Am.
, vol.73
, pp. 1434-1441
-
-
Teague, M.R.1
-
22
-
-
0019222703
-
Digital reconstruction of bright field phase contrast images from high resolution electron micrographs
-
Kirkland EJ, Siegel BM,Uyeda N, Fujiyoshi Y. 1980. Digital reconstruction of bright field phase contrast images from high resolution electron micrographs. Ultramicroscopy 5:479-503
-
(1980)
Ultramicroscopy
, vol.5
, pp. 479-503
-
-
Kirkland, E.J.1
Siegel Bmuyeda, N.2
Fujiyoshi, Y.3
-
23
-
-
0001367051
-
Electron holographic observation of the electrostatic field associated with thin reverse-biased p-n junctions
-
Frabboni S,Matteucci G, Pozzi G, Vanzi M. 1985. Electron holographic observation of the electrostatic field associated with thin reverse-biased p-n junctions. Phys. Rev. Lett. 55:2196-2199
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 2196-2199
-
-
Frabboni, S.1
Matteucci, G.2
Pozzi, G.3
Vanzi, M.4
-
26
-
-
0000743490
-
Direct imaging of spatially varying potential and charge across internal interfaces in solids
-
Ravikumar V, Rodrigues RP, Dravid VP. 1995. Direct imaging of spatially varying potential and charge across internal interfaces in solids. Phys. Rev. Lett. 75(22):4063-4066
-
(1995)
Phys. Rev. Lett.
, vol.75
, Issue.22
, pp. 4063-4066
-
-
Ravikumar, V.1
Rodrigues, R.P.2
Dravid, V.P.3
-
27
-
-
0031142263
-
Space-charge distribution across internal interfaces in electroceramics using electron holography: I, pristine grain boundaries
-
Ravikumar V, Rodrigues RP, Dravid V. 1997. Space-charge distribution across internal interfaces in electroceramics using electron holography. 1. Pristine grain boundaries. J. Am. Ceram. Soc. 80(5):1117-1130 (Pubitemid 127579076)
-
(1997)
Journal of the American Ceramic Society
, vol.80
, Issue.5
, pp. 1117-1130
-
-
Ravikumar, V.1
Rodrigues, R.P.2
Dravid, V.P.3
-
28
-
-
0031142868
-
Space-charge distribution across internal interfaces in electroceramics using electron holography: II, doped grain boundaries
-
Ravikumar V, Rodrigues RP, Dravid VP. 1997. Space-charge distribution across internal interfaces in electroceramics using electron holography 0.2. Doped grain boundaries. J. Am. Ceram. Soc. 80(5):1131-1138 (Pubitemid 127579077)
-
(1997)
Journal of the American Ceramic Society
, vol.80
, Issue.5
, pp. 1131-1138
-
-
Ravikumar, V.1
Rodrigues, R.P.2
Dravid, V.P.3
-
29
-
-
0000704311
-
Grain boundary barrier breakdown in niobium donor doped strontium titanate using in situ electron holography
-
Johnson KD, Dravid VP. 1999. Grain boundary barrier breakdown in niobium donor doped strontium titanate using in situ electron holography. Appl. Phys. Lett. 74(4):621-623
-
(1999)
Appl. Phys. Lett.
, vol.74
, Issue.4
, pp. 621-623
-
-
Johnson, K.D.1
Dravid, V.P.2
-
30
-
-
0034243133
-
Static and dynamic electron holography of electrically active grain boundaries in SrTiO3
-
Johnson KD, Dravid VP. 2000. Static and dynamic electron holography of electrically active grain boundaries in SrTiO3. Interface Sci. 8(2-3):189-198
-
(2000)
Interface Sci.
, vol.8
, Issue.2-3
, pp. 189-198
-
-
Johnson, K.D.1
Dravid, V.P.2
-
31
-
-
0036688681
-
Determination of electrostatic characteristics at a 24 degrees, [001] tilt grain boundary in a SrTiO3 bicrystal by electron holography
-
Wang YG, Dravid VP. 2002. Determination of electrostatic characteristics at a 24 degrees, [001] tilt grain boundary in a SrTiO3 bicrystal by electron holography. Philos. Mag. Lett. 82:425-432
-
(2002)
Philos. Mag. Lett.
, vol.82
, pp. 425-432
-
-
Wang, Y.G.1
Dravid, V.P.2
-
32
-
-
0001004699
-
The electrostatic contribution of the forwardscattering potential at a space charge layer in high-energy electron diffraction. I. Theory neglecting the effects of fringing fields
-
Dunin-Borkowski RE, Saxton WO, Stobbs WM. 1996. The electrostatic contribution of the forwardscattering potential at a space charge layer in high-energy electron diffraction. I. Theory neglecting the effects of fringing fields. Acta Crystallogr. A 52:705-711
-
(1996)
Acta Crystallogr. A
, vol.52
, pp. 705-711
-
-
Dunin-Borkowski, R.E.1
Saxton, W.O.2
Stobbs, W.M.3
-
33
-
-
33644501769
-
The measurement and interpretation of electrostatic potential profiles across grain boundaries in strontium titanate
-
Longworth SJP, Knowles KM, Dunin-Borkowski RE. 2006. The measurement and interpretation of electrostatic potential profiles across grain boundaries in strontium titanate. J. Phys. Conf. Ser. 26:235-238
-
(2006)
J. Phys. Conf. Ser.
, vol.26
, pp. 235-238
-
-
Sjp, L.1
Knowles, K.M.2
Dunin-Borkowski, R.E.3
-
34
-
-
36749038381
-
A flux-preserving inline electron holography reconstruction algorithm for illumination of partial spatial coherence
-
Koch CT. 2008. A flux-preserving inline electron holography reconstruction algorithm for illumination of partial spatial coherence. Ultramicroscopy 108:141-150
-
(2008)
Ultramicroscopy
, vol.108
, pp. 141-150
-
-
Koch, C.T.1
-
35
-
-
84977295671
-
Dirac-Fock calculations of X-ray scattering factors and contributions to the mean inner potential for electron scattering
-
Rez D, Rez P, Grant I. 1994. Dirac-Fock calculations of X-ray scattering factors and contributions to the mean inner potential for electron scattering. Acta Crystallogr. A 50:481-497
-
(1994)
Acta Crystallogr. A
, vol.50
, pp. 481-497
-
-
Rez, D.1
Rez, P.2
Grant, I.3
-
36
-
-
38949164735
-
First principles investigation of polarisation at interfaces in multilayered strontium titanate
-
Benedek NA, Els̈asser C, FinnisMW. 2008. First principles investigation of polarisation at interfaces in multilayered strontium titanate. J. Phys. Conf. Ser. 94:012005
-
(2008)
J. Phys. Conf. Ser.
, vol.94
, pp. 012005
-
-
Benedek, N.A.1
Els̈asser, C.2
Finnis, M.W.3
-
37
-
-
0036041546
-
Subnanoscale studies of segregation at grain boundaries: Simulations and experiments
-
Seidman DN. 2002. Subnanoscale studies of segregation at grain boundaries: simulations and experiments. Annu. Rev. Mater. Res. 32:235-269
-
(2002)
Annu. Rev. Mater. Res.
, vol.32
, pp. 235-269
-
-
Seidman, D.N.1
-
38
-
-
34548433670
-
Theory of the dielectric constants of alkali halide crystals
-
Dick BG, Overhauser AW. 1958. Theory of the dielectric constants of alkali halide crystals. Phys. Rev. 112:90-103
-
(1958)
Phys. Rev.
, vol.112
, pp. 90-103
-
-
Dick, B.G.1
Overhauser, A.W.2
-
39
-
-
0042554272
-
Shell and breathing shell-model calculations for defect formation energies and volumes in magnesium-oxide
-
Catlow CRA, Faux ID, Norgett MJ. 1976. Shell and breathing shell-model calculations for defect formation energies and volumes in magnesium-oxide. J. Phys. C 9:419-430
-
(1976)
J. Phys. C
, vol.9
, pp. 419-430
-
-
Cra, C.1
Faux, I.D.2
Norgett, M.J.3
-
40
-
-
0035826001
-
Short range interaction potentials between anions in crystals
-
Pyper NC. 2001. Short range interaction potentials between anions in crystals. J. Chem. Phys. 114:4390-4405
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 4390-4405
-
-
Pyper, N.C.1
-
41
-
-
0035826014
-
A physically transparent and transferable compressible ion model for oxides
-
Marks NA, Finnis MW, Harding JH, Pyper NC. 2001. A physically transparent and transferable compressible ion model for oxides. J. Chem. Phys. 114:4406-4414
-
(2001)
J. Chem. Phys.
, vol.114
, pp. 4406-4414
-
-
Marks, N.A.1
Finnis, M.W.2
Harding, J.H.3
Pyper, N.C.4
-
42
-
-
0000466475
-
Evaluation of the many-body contributions to the interionic interactions in MgO
-
Rowley AJ, Jemmer P,Wilson M, Madden PA. 1998. Evaluation of the many-body contributions to the interionic interactions in MgO. J. Chem. Phys. 108:10209-10219
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 10209-10219
-
-
Rowley, A.J.1
Jemmer Pwilson, M.2
Madden, P.A.3
-
43
-
-
0037113106
-
An ab initio parametrized interatomic force field for silica
-
Tangney P, Scandolo S. 2002. An ab initio parametrized interatomic force field for silica. J. Chem. Phys. 117:8898-8904
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 8898-8904
-
-
Tangney, P.1
Scandolo, S.2
-
44
-
-
0005659931
-
An interpretation of bond lengths and a classification of bonds
-
Sanderson RT. 1951. An interpretation of bond lengths and a classification of bonds. Science 114:670-672
-
(1951)
Science
, vol.114
, pp. 670-672
-
-
Sanderson, R.T.1
-
45
-
-
33748481964
-
Charge equilibration formolecular dynamics simulations
-
Rapṕe AK, Goddard WA. 1991. Charge equilibration formolecular dynamics simulations. J. Phys. Chem. 95:3358-3363
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 3358-3363
-
-
Rapṕe, A.K.1
Goddard, W.A.2
-
46
-
-
45849155835
-
Empirical variable-charge models for titanium oxides: A study in transferability
-
Thomas BS, Marks NA. 2004. Empirical variable-charge models for titanium oxides: a study in transferability. Phys. Rev. B 69:144122
-
(2004)
Phys. Rev. B
, vol.69
, pp. 144122
-
-
Thomas, B.S.1
Marks, N.A.2
-
48
-
-
24944455527
-
The oxidation of NiAl: What can we learn from ab initio calculations?
-
Finnis MW, Lozovoi AY, Alavi A. 2005. The oxidation of NiAl: What can we learn from ab initio calculations? Annu. Rev. Mater. Res. 35:167-207
-
(2005)
Annu. Rev. Mater. Res.
, vol.35
, pp. 167-207
-
-
Finnis, M.W.1
Lozovoi, A.Y.2
Alavi, A.3
-
49
-
-
12044249420
-
Chemical-potential dependence of defect formation energies in GaAs- application to Ga self-diffusion
-
Zhang SB, Northrup JE. 1991. Chemical-potential dependence of defect formation energies in GaAs- application to Ga self-diffusion. Phys. Rev. Lett. 67(17):2339-2342
-
(1991)
Phys. Rev. Lett.
, vol.67
, Issue.17
, pp. 2339-2342
-
-
Zhang, S.B.1
Northrup, J.E.2
-
50
-
-
77957006614
-
Energetics of charged point defects in rutile TiO2 by density functional theory
-
Li X, Finnis MW, He J, Behera RK, Phillpot SR et al. 2009. Energetics of charged point defects in rutile TiO2 by density functional theory. Acta Mater. 55:4325-4337
-
(2009)
Acta Mater.
, vol.55
, pp. 4325-4337
-
-
Li, X.1
Finnis, M.W.2
He, J.3
Behera, R.K.4
Phillpot, S.R.5
-
51
-
-
60449097979
-
Supercell size scaling of density functional theory formation energies of charged defects
-
Hine NDM, Frensch K, FoulkesWMC, Finnis MW. 2009. Supercell size scaling of density functional theory formation energies of charged defects. Phys. Rev. B 79:024112
-
(2009)
Phys. Rev. B
, vol.79
, pp. 024112
-
-
Ndm, H.1
Frensch, K.2
Wmc, F.3
Finnis, M.W.4
-
52
-
-
0020763532
-
On the structure of twist grain boundaries in ionic oxides
-
Tasker PW, Duffy DM. 1983. On the structure of twist grain boundaries in ionic oxides. Philos. Mag. A 47:L45-48
-
(1983)
Philos. Mag. A
, vol.47
-
-
Tasker, P.W.1
Duffy, D.M.2
-
53
-
-
0020155483
-
Secondary grain boundary dislocations in [001] twist boundaries
-
Sun CP, Balluffi RW. 1982. Secondary grain boundary dislocations in [001] twist boundaries. Philos. Mag. A 46:49-62
-
(1982)
Philos. Mag. A
, vol.46
, pp. 49-62
-
-
Sun, C.P.1
Balluffi, R.W.2
-
54
-
-
0029345291
-
The stability of defects in the ceramic interfaces, MgO/MgO and CeO2/Al2O3
-
Sayle DC, Sayle TXT, Parker SC, Harding JH, Catlow CRA. 1995. The stability of defects in the ceramic interfaces, MgO/MgO and CeO2/Al2O3. Surf. Sci. 334:170-178
-
(1995)
Surf. Sci.
, vol.334
, pp. 170-178
-
-
Sayle, D.C.1
Sayle, T.X.T.2
Parker, S.C.3
Harding, J.H.4
Catlow, C.R.A.5
-
55
-
-
0032093788
-
Empirical and ab initio local-density approximation studies of an MgO(100) twist grain boundary
-
Harding JH, Noguera C. 1998. Empirical and ab initio local-density approximation studies of an MgO(100) twist grain boundary. Philos. Mag. Lett. 77:315-320
-
(1998)
Philos. Mag. Lett.
, vol.77
, pp. 315-320
-
-
Harding, J.H.1
Noguera, C.2
-
56
-
-
77957008265
-
Atomistic calculations and HRTEM observations of an [001] tilt boundary in rutile
-
ed. EP Kvam, V Vitek, AH King, MJ Mills, p. Warrendale, PA: Mater. Res. Soc.
-
Lee WY, Bristowe PD, Solozarno IG, Vandersande JB. 1994. Atomistic calculations and HRTEM observations of an [001] tilt boundary in rutile. In Defect-Interface Interactions, ed. EP Kvam, V Vitek, AH King, MJ Mills, p. 239. Warrendale, PA: Mater. Res. Soc.
-
(1994)
Defect-Interface Interactions
, pp. 239
-
-
Lee, W.Y.1
Bristowe, P.D.2
Solozarno, I.G.3
Vandersande, J.B.4
-
57
-
-
0001758902
-
First-principles study of a tilt grain boundary in rutile
-
Dawson I, Bristowe PD, Lee M-H, Payne MC, Segall MD,White JA. 1996. First-principles study of a tilt grain boundary in rutile. Phys. Rev. B 54:13727
-
(1996)
Phys. Rev. B
, vol.54
, pp. 13727
-
-
Dawson, I.1
Bristowe, P.D.2
Lee, M.-H.3
Payne, M.C.4
Segall, M.D.5
White, J.A.6
-
58
-
-
0034879371
-
Interfacial structures and energetics of basal twins in α-Al2O3: First-principles density-functional and empirical calculations
-
Marinopoulos AG, Nufer S, Els̈asser C. 2001. Interfacial structures and energetics of basal twins in α-Al2O3: first-principles density-functional and empirical calculations. Phys. Rev. B 63:165112
-
(2001)
Phys. Rev. B
, vol.63
, pp. 165112
-
-
Marinopoulos, A.G.1
Nufer, S.2
Els̈asser, C.3
-
60
-
-
9644252994
-
Impurity and vacancy clustering at the3(111)[1-10] grain boundary in strontium titanate
-
Gemming S, Schreiber M. 2005. Impurity and vacancy clustering at the 3(111)[1-10] grain boundary in strontium titanate. Chem. Phys. 309:3-13
-
(2005)
Chem. Phys.
, vol.309
, pp. 3-13
-
-
Gemming, S.1
Schreiber, M.2
-
61
-
-
0242332193
-
Direct atom-resolved imaging of oxides and their grain boundaries
-
Zhang ZL, SigleW, Phillipp F, R̈uhle M. 2003. Direct atom-resolved imaging of oxides and their grain boundaries. Science 302(5646):846-849
-
(2003)
Science
, vol.302
, Issue.5646
, pp. 846-849
-
-
Zhang, Z.L.1
Sigle, W.2
Phillipp, F.3
R̈uhle, M.4
-
62
-
-
0035820938
-
Density functional study of the 3(111) [1-10] symmetrical tilt grain boundary in SrTiO3
-
Hutt S, K̈ostlmeier S, Els̈asser C. 2001. Density functional study of the 3(111) [1-10] symmetrical tilt grain boundary in SrTiO3. J. Phys. Condens. Matter 13:3949-3960
-
(2001)
J. Phys. Condens. Matter
, vol.13
, pp. 3949-3960
-
-
Hutt, S.1
K̈ostlmeier, S.2
Els̈asser, C.3
-
63
-
-
0034242076
-
Atomic structure and properties of the (310) symmetrical tilt grain boundary (STGB) in SrTiO3. II. Comparison with experimental results
-
Dravid VP, Ravikumar V. 2000. Atomic structure and properties of the (310) symmetrical tilt grain boundary (STGB) in SrTiO3. II. Comparison with experimental results. Interface Sci. 8:177-187
-
(2000)
Interface Sci.
, vol.8
, pp. 177-187
-
-
Dravid, V.P.1
Ravikumar, V.2
-
65
-
-
37349079172
-
Molecular dynamics simulations of temperature-induced structural transitions at twist boundaries in silicon
-
von Alfthan S, Kaski K, Sutton AP. 2007. Molecular dynamics simulations of temperature-induced structural transitions at twist boundaries in silicon. Phys. Rev. B 76(24):245317
-
(2007)
Phys. Rev. B
, vol.76
, Issue.24
, pp. 245317
-
-
Von Alfthan, S.1
Kaski, K.2
Sutton, A.P.3
-
66
-
-
77951531987
-
A genetic algorithm to predict the structures of interfaces in multicomponent systems
-
Chua AL-S, Benedek NA, Chen L, Finnis MW, Sutton AP. 2010. A genetic algorithm to predict the structures of interfaces in multicomponent systems. Nature Mater. 9:418-422
-
(2010)
Nature Mater.
, vol.9
, pp. 418-422
-
-
Al-S, C.1
Benedek, N.A.2
Chen, L.3
Finnis, M.W.4
Sutton, A.P.5
-
67
-
-
0001489865
-
Molecular-geometry optimization with a genetic algorithm
-
Deaven DM,Ho KM. 1995. Molecular-geometry optimization with a genetic algorithm. Phys. Rev. Lett. 75:288-291
-
(1995)
Phys. Rev. Lett.
, vol.75
, pp. 288-291
-
-
Deaven Dmho, K.M.1
-
68
-
-
33745634670
-
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
-
Oganov AR, Glass CW. 2006. Crystal structure prediction using ab initio evolutionary techniques: principles and applications. J. Chem. Phys. 124:244704
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 244704
-
-
Oganov, A.R.1
Glass, C.W.2
-
69
-
-
11644261806
-
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
-
Morris GM, Goodsell DS, Halliday RS, Huey R, Hart WE et al. 1998. Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function. J. Comp. Chem. 19:1639-1662
-
(1998)
J. Comp. Chem.
, vol.19
, pp. 1639-1662
-
-
Morris, G.M.1
Goodsell, D.S.2
Halliday, R.S.3
Huey, R.4
Hart, W.E.5
-
71
-
-
0003766238
-
Genetic algorithms for function optimization
-
Univ. Alberta, Edmonton, Alberta
-
Brindle A. 1981. Genetic algorithms for function optimization. Tech. Rep. TR81-2, Dep. Comput. Sci., Univ. Alberta, Edmonton, Alberta
-
(1981)
Tech. Rep. TR81-2, Dep. Comput. Sci.
-
-
Brindle, A.1
-
72
-
-
0002819121
-
A comparative analysis of selection schemes used in genetic algorithms
-
ed. GJE Rawlins, pp. San Mateo, CA: Morgan Kaufmann
-
Goldberg DE, Deb K. 1991. A comparative analysis of selection schemes used in genetic algorithms. In Foundations of Genetic Algorithms I, ed. GJE Rawlins, pp. 69-93. San Mateo, CA: Morgan Kaufmann
-
(1991)
Foundations of Genetic Algorithms i
, pp. 69-93
-
-
Goldberg, D.E.1
Deb, K.2
-
73
-
-
0001179279
-
Equilibrium and adhesion of Nb/sapphire: The effect of oxygen partial pressure
-
Batyrev IG, Alavi A, Finnis MW. 2000. Equilibrium and adhesion of Nb/sapphire: the effect of oxygen partial pressure. Phys. Rev. B 62:4698-4706
-
(2000)
Phys. Rev. B
, vol.62
, pp. 4698-4706
-
-
Batyrev, I.G.1
Alavi, A.2
Finnis, M.W.3
-
74
-
-
19544381708
-
SrTiO3 (2 - 1) reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images
-
Johnston K, Castell MR, Paxton AT, FinnisMW. 2004. SrTiO3 (2 - 1) reconstructions: first-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images. Phys. Rev. B 70:085415
-
(2004)
Phys. Rev. B
, vol.70
, pp. 085415
-
-
Johnston, K.1
Castell, M.R.2
Paxton, A.T.3
Finnis, M.W.4
-
79
-
-
0344443406
-
Surface energy anisotropy of SrTiO3 at 1400°C in air
-
Sano T, Saylor DM, Rohrer GS. 2003. Surface energy anisotropy of SrTiO3 at 1400°C in air. J. Am. Ceram. Soc. 86(11):1933-1939
-
(2003)
J. Am. Ceram. Soc.
, vol.86
, Issue.11
, pp. 1933-1939
-
-
Sano, T.1
Saylor, D.M.2
Rohrer, G.S.3
-
80
-
-
2342625978
-
Distribution of grain boundaries in SrTiO3 as a function of five macroscopic parameters
-
Saylor DM, El Dasher B, Sano T, Rohrer GS. 2004. Distribution of grain boundaries in SrTiO3 as a function of five macroscopic parameters. J. Am. Ceram. Soc. 87(4):670-676
-
(2004)
J. Am. Ceram. Soc.
, vol.87
, Issue.4
, pp. 670-676
-
-
Saylor, D.M.1
El Dasher, B.2
Sano, T.3
Rohrer, G.S.4
-
82
-
-
0002289958
-
The compound Sr3Ti2O7 and its structure
-
Ruddlesden SN, Popper P. 1958. The compound Sr3Ti2O7 and its structure. Acta Crystallogr. 11(1):54-55
-
(1958)
Acta Crystallogr.
, vol.11
, Issue.1
, pp. 54-55
-
-
Ruddlesden, S.N.1
Popper, P.2
-
83
-
-
0023313838
-
AlLaNb2O7: A new series of layered perovskites exhibiting ion-exchange and intercalation behaviour
-
Gopalakrishnan J, Bhat V, Raveau B. 1987. AlLaNb2O7: a new series of layered perovskites exhibiting ion-exchange and intercalation behaviour. Mater. Res. Bull. 22(3):413-417
-
(1987)
Mater. Res. Bull.
, vol.22
, Issue.3
, pp. 413-417
-
-
Gopalakrishnan, J.1
Bhat, V.2
Raveau, B.3
-
84
-
-
0037035323
-
Exfoliation of layered rutile and perovskite tungstates
-
Schaak RE, Mallouk TE. 2002. Exfoliation of layered rutile and perovskite tungstates. Chem. Commun. 7:706-707
-
(2002)
Chem. Commun.
, vol.7
, pp. 706-707
-
-
Schaak, R.E.1
Mallouk, T.E.2
-
85
-
-
0037026574
-
The structure and chemistry of the TiO2-rich surface of SrTiO3 (001)
-
Erdman N, Poeppelmeier KR, Asta M, Warschkow O, Ellis DE, Marks LD. 2002. The structure and chemistry of the TiO2-rich surface of SrTiO3 (001). Nature 419(6902):55-58
-
(2002)
Nature
, vol.419
, Issue.6902
, pp. 55-58
-
-
Erdman, N.1
Poeppelmeier, K.R.2
Asta, M.3
Warschkow, O.4
Ellis, D.E.5
Marks, L.D.6
-
86
-
-
0031245888
-
Electrochemical investigations of SrTiO3 boundaries
-
Denk I, Claus J,Maier J. 1997. Electrochemical investigations of SrTiO3 boundaries. J. Electrochem. Soc. 144:3526-3536
-
(1997)
J. Electrochem. Soc.
, vol.144
, pp. 3526-3536
-
-
Denk, I.1
Claus Jmaier, J.2
-
87
-
-
0033747871
-
Equilibrium point defect and electronic carrier distributions near interfaces in acceptor-doped strontium titanate
-
McIntyre PC. 2000. Equilibrium point defect and electronic carrier distributions near interfaces in acceptor-doped strontium titanate. J. Am. Ceram. Soc. 83(5):1129-1136
-
(2000)
J. Am. Ceram. Soc.
, vol.83
, Issue.5
, pp. 1129-1136
-
-
McIntyre, P.C.1
-
88
-
-
0032023849
-
Accessing the excess: An atomistic approach to excesses at planar defects and dislocations in ordered compounds
-
Finnis MW. 1998. Accessing the excess: an atomistic approach to excesses at planar defects and dislocations in ordered compounds. Phys. Status Solid. A 166:397-416
-
(1998)
Phys. Status Solid. A
, vol.166
, pp. 397-416
-
-
Finnis, M.W.1
-
89
-
-
4244129856
-
Relations between the concentrations of imperfections in crystalline solids
-
ed. F Seitz, D Turnbull, pp. New York: Academic
-
Kr̈oger FA, Vink HJ. 1956. Relations between the concentrations of imperfections in crystalline solids. In Solid State Physics, Vol.3, ed. F Seitz, D Turnbull, pp. 307-435. New York: Academic
-
(1956)
Solid State Physics, Vol. 3
, pp. 307-435
-
-
Kr̈oger Fa, V.1
-
90
-
-
33748246924
-
Defect chemistry: Composition, transport, and reactions in the solid state. I. Thermodynamics
-
Maier J. 1993. Defect chemistry: composition, transport, and reactions in the solid state. I. Thermodynamics. Angew. Chem. 32(3):313-335
-
(1993)
Angew. Chem.
, vol.32
, Issue.3
, pp. 313-335
-
-
Maier, J.1
-
91
-
-
33748234502
-
Defect chemistry: Composition, transport, and reactions in the solid state. II. Kinetics
-
Maier J. 1993. Defect chemistry: composition, transport, and reactions in the solid state. II. Kinetics. Angew. Chem. 32(4):528-542
-
(1993)
Angew. Chem.
, vol.32
, Issue.4
, pp. 528-542
-
-
Maier, J.1
-
92
-
-
0038454733
-
Space charge conduction: Simple analytical solutions for ionic and mixed conductors and application to nanocrystalline ceria
-
Kim S, Fleig J, Maier J. 2003. Space charge conduction: simple analytical solutions for ionic and mixed conductors and application to nanocrystalline ceria. Phys. Chem. Chem. Phys. 5(11):2268-2273
-
(2003)
Phys. Chem. Chem. Phys.
, vol.5
, Issue.11
, pp. 2268-2273
-
-
Kim, S.1
Fleig, J.2
Maier, J.3
-
93
-
-
0036805125
-
Electrostatic and entropic interactions between parallel interfaces separated by a glassy film
-
Johnston K, Finnis MW. 2002. Electrostatic and entropic interactions between parallel interfaces separated by a glassy film. J. Am. Ceram. Soc. 85:2562-2568
-
(2002)
J. Am. Ceram. Soc.
, vol.85
, pp. 2562-2568
-
-
Johnston, K.1
Finnis, M.W.2
-
94
-
-
0028367898
-
Grain boundary defect chemistry of acceptor-doped titanates: Space charge layer width
-
Vollman M, Waser R. 1994. Grain boundary defect chemistry of acceptor-doped titanates: space charge layer width. J. Am. Ceram. Soc. 77:234-243
-
(1994)
J. Am. Ceram. Soc.
, vol.77
, pp. 234-243
-
-
Vollman, M.1
Waser, R.2
-
95
-
-
0035297475
-
Microcontact impedance spectroscopy at single grain boundaries in Fe-doped SrTiO3 polycrystals
-
Rodewald S, Fleig F,Maier J. 2001. Microcontact impedance spectroscopy at single grain boundaries in Fe-doped SrTiO3 polycrystals. J. Am. Ceram. Soc. 84:521-530
-
(2001)
J. Am. Ceram. Soc.
, vol.84
, pp. 521-530
-
-
Rodewald, S.1
Fleig Fmaier, J.2
-
96
-
-
0000719056
-
Microcontact impedance measurements of individual highly resistive grain boundaries: General aspects and application to acceptor-doped SrTiO3
-
Fleig J, Rodewald S, Maier J. 2000. Microcontact impedance measurements of individual highly resistive grain boundaries: general aspects and application to acceptor-doped SrTiO3. J. Appl. Phys. 87:2372-2381
-
(2000)
J. Appl. Phys.
, vol.87
, pp. 2372-2381
-
-
Fleig, J.1
Rodewald, S.2
Maier, J.3
-
97
-
-
0001378707
-
Grain boundary blocking effect in zirconia: A Schottky barrier analysis
-
Guo X, Maier J. 2001. Grain boundary blocking effect in zirconia: a Schottky barrier analysis. J. Electrochem. Soc. 148:E121-26
-
(2001)
J. Electrochem. Soc.
, vol.148
-
-
Guo, X.1
Maier, J.2
-
98
-
-
77952661360
-
Determination of grain boundary potentials in ceramics: Combining impedance spectroscopy and inline electron holography
-
2010
-
Koch CT. 2010. Determination of grain boundary potentials in ceramics: combining impedance spectroscopy and inline electron holography. Int. J. Mater. Res. 2010(1):43-49
-
(2010)
Int. J. Mater. Res.
, vol.1
, pp. 43-49
-
-
Koch, C.T.1
-
99
-
-
11244300749
-
Illumination effects in holographic imaging of the electrostatic potential of defects and pn junctions in transmission electron microscopy
-
Houben L, Luysberg M, Brammer T. 2004. Illumination effects in holographic imaging of the electrostatic potential of defects and pn junctions in transmission electron microscopy. Phys. Rev. B 70:165313
-
(2004)
Phys. Rev. B
, vol.70
, pp. 165313
-
-
Houben, L.1
Luysberg, M.2
Brammer, T.3
-
100
-
-
0038481626
-
Electrical and structural characterization of a low-angle tilt grain boundary in iron-doped strontium titanate
-
de Souza R, Fleig J, Maier J, Kienzle O, Zhang Z et al. 2003. Electrical and structural characterization of a low-angle tilt grain boundary in iron-doped strontium titanate. J. Am. Ceram. Soc. 86:922-928
-
(2003)
J. Am. Ceram. Soc.
, vol.86
, pp. 922-928
-
-
De Souza, R.1
Fleig, J.2
Maier, J.3
Kienzle, O.4
Zhang, Z.5
|