Access the full text.
Sign up today, get DeepDyve free for 14 days.
Y. Ogata, K. Tsuda, Y. Akishige, Michiyoshi Tanaka (2004)
Refinement of the crystal structural parameters of the intermediate phase of h-BaTiO3 using convergent-beam electron diffraction.Acta crystallographica. Section A, Foundations of crystallography, 60 Pt 6
E. Zhurova, Y. Ivanov, V. Zavodnik, V. Tsirelson (2000)
Electron density and atomic displacements in KTaO3.Acta crystallographica. Section B, Structural science, 56 Pt 4
B. Jiang, J. Zuo, N. Jiang, M. O'Keeffe, J. Spence (2003)
Charge density and chemical bonding in rutile, TiO2.Acta crystallographica. Section A, Foundations of crystallography, 59 Pt 4
G. Samara, B. Morosin (1973)
Anharmonic Effects in KTaO 3 : Ferroelectric Mode, Thermal Expansion,and CompressibilityPhysical Review B, 8
J. Cowley, A. Moodie (1957)
The scattering of electrons by atoms and crystals. I. A new theoretical approachActa Crystallographica, 10
V. Streltsov, P. Nakashima, Andrew Johnson (2001)
Charge density analysis from complementary high energy synchrotron X-ray and electron diffraction dataJournal of Physics and Chemistry of Solids, 62
Tsuda, Tanaka (1999)
Refinement of crystal structural parameters using two-dimensional energy-filtered CBED patterns.Acta crystallographica. Section A, Foundations of crystallography, 55 Pt 5
K. Tsuda, Y. Ogata, K. Takagi, T. Hashimoto, Michiyoshi Tanaka (2002)
Refinement of crystal structural parameters and charge density using convergent-beam electron diffraction – the rhombohedral phase of LaCrO3Acta Crystallographica Section A, 58
M. Saunders, D. Bird, O. Holbrook, P. Midgley, R. Vincent (1996)
The use of Bethe potentials in zone-axis CBED pattern matchingUltramicroscopy, 65
W. Broek, X. Jiang, Christoph Koch (2015)
FDES, a GPU-based multislice algorithm with increased efficiency of the computation of the projected potential.Ultramicroscopy, 158
J. Friis, B. Jiang, J. Spence, K. Marthinsen, R. Holmestad (2004)
Extinction-free electron diffraction refinement of bonding in SrTiO3.Acta crystallographica. Section A, Foundations of crystallography, 60 Pt 5
P. Nakashima, A. Smith, J. Etheridge, B. Muddle (2011)
The Bonding Electron Density in AluminumScience, 331
J. Zuo, M. O'Keeffe, P. Rez, J. Spence (1997)
Charge Density of MgO: Implications of Precise New Measurements for TheoryPhysical Review Letters, 78
P. Vousden (1951)
A study of the unit‐cell dimensions and symmetry of certain ferroelectric compounds of niobium and tantalum at room temperatureActa Crystallographica, 4
K. Tsuda, M. Tanaka (1995)
Refinement of crystal structure parameters using convergent‐beam electron diffraction: the low‐temperature phase of SrTiO3Acta Crystallographica Section A, 51
R. Sæterli, E. Flage-Larsen, J. Friis, O. Løvvik, J. Pacaud, K. Marthinsen, R. Holmestad (2011)
Experimental and theoretical study of electron density and structure factors in CoSb₃.Ultramicroscopy, 111 7
C. Koch (2011)
Aberration-compensated large-angle rocking-beam electron diffraction.Ultramicroscopy, 111 7
J. Spence (1993)
On the accurate measurement of structure-factor amplitudes and phases by electron diffractionActa Crystallographica Section A, 49
A. Hubert, Rudolf Romer, Richard Beanland (2018)
Structure refinement from 'digital' large angle convergent beam electron diffraction patterns.Ultramicroscopy, 198
K. Tsuda, D. Morikawa, Y. Watanabe, S. Ohtani, T. Arima (2010)
Direct observation of orbital ordering in the spinel oxide FeCr 2 O 4 through electrostatic potential using convergent-beam electron diffractionPhysical Review B, 81
Y. Ogata, K. Tsuda, Michiyoshi Tanaka (2008)
Determination of the electrostatic potential and electron density of silicon using convergent-beam electron diffraction.Acta crystallographica. Section A, Foundations of crystallography, 64 Pt 5
G. Shirane, H. Danner, A. Pavlovic, R. Pepinsky (1954)
Phase Transitions in Ferroelectric KNbO 3Physical Review, 93
D. Morikawa, K. Tsuda (2020)
Evaluation of accuracy in the determination of crystal structure factors using large-angle convergent-beam electron diffraction patterns.Microscopy
J. Friis, B. Jiang, K. Marthinsen, R. Holmestad (2005)
A study of charge density in copper.Acta crystallographica. Section A, Foundations of crystallography, 61 Pt 2
J. Zuo (2004)
Measurements of electron densities in solids: a real-space view of electronic structure and bonding in inorganic crystalsReports on Progress in Physics, 67
X. Sang, A. Kulovits, J. Wiezorek (2010)
Simultaneous determination of highly precise Debye-Waller factors and structure factors for chemically ordered NiAl.Acta crystallographica. Section A, Foundations of crystallography, 66 Pt 6
B. Jiang, J. Friis, R. Holmestad, J. Zuo, M. O'Keeffe, J. Spence (2004)
Electron density and implication for bonding in CuPhysical Review B, 69
R. Loane, P. Xu, J. Silcox (1991)
Thermal vibrations in convergent‐beam electron diffractionActa Crystallographica Section A, 47
J. Axe, J. Harada, G. Shirane (1970)
Anomalous Acoustic Dispersion in Centrosymmetric Crystals with Soft Optic PhononsPhysical Review B, 1
R. Beanland, Paul Thomas, D. Woodward, Pamela Thomas, Rudolf Roemer (2012)
Digital electron diffraction – seeing the whole pictureActa Crystallographica Section A: Foundations of Crystallography, 69
J. Friis, G. Madsen, F. Larsen, B. Jiang, K. Marthinsen, R. Holmestad (2003)
Magnesium: Comparison of density functional theory calculations with electron and x-ray diffraction experimentsJournal of Chemical Physics, 119
C. Deininger, G. Necker, J. Mayer (1994)
Determination of structure factors, lattice strains and accelerating voltage by energy-filtered convergent beam electron diffractionUltramicroscopy, 54
X. Sang, A. Kulovits, J. Wiezorek (2011)
Simultaneous determination of highly precise Debye-Waller factors and multiple structure factors for chemically ordered tetragonal FePd.Acta crystallographica. Section A, Foundations of crystallography, 67 Pt 3
V. Streltsov, P. Nakashima, Andrew Johnson (2003)
A Combination Method of Charge Density Measurement in Hard Materials Using Accurate, Quantitative Electron and X-ray Diffraction: The α-Al2O3 CaseMicroscopy and Microanalysis, 9
M. Saunders, D. Bird, N. Zaluzec, W. Burgess, A. Preston, C. Humphreys (1995)
Measurement of low-order structure factors for silicon from zone-axis CBED patternsUltramicroscopy, 60
P. Nakashima (2017)
Quantitative convergent-beam electron diffraction and quantum crystallography—the metallic bond in aluminiumStructural Chemistry, 28
J. Zuo, Miyoung Kim, M. O'Keeffe, J. Spence (1999)
Direct observation of d-orbital holes and Cu–Cu bonding in Cu2ONature, 401
J. Zuo, M. O'Keeffe, M. Kim, J. Spence (2000)
On Closed-Shell Interactions, Polar Covalences, d Shell Holes, and Direct Images of Orbitals: The Case of Cuprite.Angewandte Chemie, 39 21
K. Momma, F. Izumi (2008)
VESTA: a three-dimensional visualization system for electronic and structural analysisJournal of Applied Crystallography, 41
X. Sang, A. Kulovits, Guofeng Wang, J. Wiezorek (2012)
Validation of density functionals for transition metals and intermetallics using data from quantitative electron diffraction.The Journal of chemical physics, 138 8
Zuo, Spence, O'Keeffe (1988)
Bonding in GaAs.Physical review letters, 61 3
Jin-Cheng Zheng, Yimei Zhu, Lijun Wu, J. Davenport (2005)
On the sensitivity of electron and X-ray scattering factors to valence charge distributionsJournal of Applied Crystallography, 38
Lijun Wu, Yimei Zhu, T. Vogt, H. Su, J. Davenport, J. Taftø (2004)
Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculationsPhysical Review B, 69
A local structure analysis method based on convergent‐beam electron diffraction (CBED) has been used for refining isotropic atomic displacement parameters and five low‐order structure factors with sin gθ/λ ≤ 0.28 Å−1 of potassium tantalate (KTaO3). Comparison between structure factors determined from CBED patterns taken at the zone‐axis (ZA) and Bragg‐excited conditions is made in order to discuss their precision and sensitivities. Bragg‐excited CBED patterns showed higher precision in the refinement of structure factors than ZA patterns. Consistency between higher precision and sensitivity of the Bragg‐excited CBED patterns has been found only for structure factors of the outer zeroth‐order Laue‐zone reflections with larger reciprocal‐lattice vectors. Correlation coefficients among the refined structure factors in the refinement of Bragg‐excited patterns are smaller than those of the ZA ones. Such smaller correlation coefficients lead to higher precision in the refinement of structure factors.
Acta Crystallographica Section A Foundations of Crystallography – Wiley
Published: Jul 1, 2021
Keywords: ; ; ; ;
Read and print from thousands of top scholarly journals.
Already have an account? Log in
Bookmark this article. You can see your Bookmarks on your DeepDyve Library.
To save an article, log in first, or sign up for a DeepDyve account if you don’t already have one.
Copy and paste the desired citation format or use the link below to download a file formatted for EndNote
Access the full text.
Sign up today, get DeepDyve free for 14 days.
All DeepDyve websites use cookies to improve your online experience. They were placed on your computer when you launched this website. You can change your cookie settings through your browser.