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Quantum crystallography: Current developments and future perspectives
Crystallography and quantum mechanics have always been tightly connected because
reliable quantum mechanical models are needed to determine crystal structures. Due to this …
reliable quantum mechanical models are needed to determine crystal structures. Due to this …
Quantitative convergent-beam electron diffraction and quantum crystallography—the metallic bond in aluminium
PNH Nakashima - Structural Chemistry, 2017 - Springer
The technique of quantitative convergent-beam electron diffraction (QCBED) is reviewed as
a method for making very accurate and precise measurements of low-order bonding …
a method for making very accurate and precise measurements of low-order bonding …
Convergent-beam electron diffraction
M Tanaka, K Tsuda - Journal of electron microscopy, 2011 - academic.oup.com
This paper reviews the convergent-beam electron diffraction (CBED) technique. Point-and
space-group determination methods of ordinary crystals are described, along with an …
space-group determination methods of ordinary crystals are described, along with an …
Surface determination through atomically resolved secondary-electron imaging
Unique determination of the atomic structure of technologically relevant surfaces is often
limited by both a need for homogeneous crystals and ambiguity of registration between the …
limited by both a need for homogeneous crystals and ambiguity of registration between the …
[HTML][HTML] First principle electronic, structural, elastic, and optical properties of strontium titanate
We report self-consistent ab-initio electronic, structural, elastic, and optical properties of
cubic SrTiO 3 perovskite. Our non-relativistic calculations employed a generalized gradient …
cubic SrTiO 3 perovskite. Our non-relativistic calculations employed a generalized gradient …
Ionisation of atoms determined by kappa refinement against 3D electron diffraction data
Conventional refinement strategies used for three-dimensional electron diffraction (3D ED)
data disregard the bonding effects between the atoms in a molecule by assuming a pure …
data disregard the bonding effects between the atoms in a molecule by assuming a pure …
[KÖNYV][B] Metal and alloy bonding-an experimental analysis: Charge density in metals and alloys
R Saravanan, MP Rani - 2011 - books.google.com
Charge density analysis of materials provides a firm basis for the evaluation of the properties
of materials. The design and engineering of a new combination of metals requires a firm …
of materials. The design and engineering of a new combination of metals requires a firm …
Determination of the electrostatic potential and electron density of silicon using convergent-beam electron diffraction
Y Ogata, K Tsuda, M Tanaka - Foundations of Crystallography, 2008 - journals.iucr.org
A structure-analysis method using convergent-beam electron diffraction (CBED) developed
by Tsuda et al.[Tsuda & Tanaka (1999), Acta Cryst. A55, 939–954; Tsuda, Ogata, Takagi …
by Tsuda et al.[Tsuda & Tanaka (1999), Acta Cryst. A55, 939–954; Tsuda, Ogata, Takagi …
Electron-density distribution in cubic SrTiO3: a comparative γ-ray diffraction study
W Jauch, M Reehuis - Foundations of Crystallography, 2005 - journals.iucr.org
The electron density and atomic displacements in the perovskite SrTiO3 have been studied
using extensive and accurate γ-ray diffraction data (λ= 0.0392 Å) at room temperature. The …
using extensive and accurate γ-ray diffraction data (λ= 0.0392 Å) at room temperature. The …
Differential convergent beam electron diffraction: Experiment and theory
PNH Nakashima, BC Muddle - Physical Review B—Condensed Matter and …, 2010 - APS
The derivative of intensity with respect to scattering angle in an electron diffraction pattern is
shown to be almost completely independent of whether the pattern has been energy filtered …
shown to be almost completely independent of whether the pattern has been energy filtered …