Quantum crystallography: Current developments and future perspectives

A Genoni, L Bučinský, N Claiser… - … A European Journal, 2018 - Wiley Online Library
Crystallography and quantum mechanics have always been tightly connected because
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 …

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 …

Surface determination through atomically resolved secondary-electron imaging

J Ciston, HG Brown, AJ D'Alfonso, P Koirala… - Nature …, 2015 - nature.com
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 …

[HTML][HTML] First principle electronic, structural, elastic, and optical properties of strontium titanate

CE Ekuma, M Jarrell, J Moreno, D Bagayoko - AIP advances, 2012 - pubs.aip.org
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 …

Ionisation of atoms determined by kappa refinement against 3D electron diffraction data

A Suresh, E Yörük, MK Cabaj, P Brázda… - Nature …, 2024 - nature.com
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 …

[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 …

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 …

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 …

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 …