Total scattering and the pair distribution function in crystallography

DA Keen - Crystallography Reviews, 2020 - Taylor & Francis
The importance of total scattering and its Fourier transform, the pair distribution function, in
crystallography was understood soon after it was shown that crystals diffract X-rays …

Design of crystal-like aperiodic solids with selective disorder–phonon coupling

AR Overy, AB Cairns, MJ Cliffe, A Simonov… - Nature …, 2016 - nature.com
Functional materials design normally focuses on structurally ordered systems because
disorder is considered detrimental to many functional properties. Here we challenge this …

[PDF][PDF] Van Vleck analysis of angularly distorted octahedra using VanVleckCalculator

LAV Nagle-Cocco, SE Dutton - Journal of Applied Crystallography, 2024 - journals.iucr.org
Van Vleck modes describe all possible displacements of octahedrally coordinated ligands
about a core atom. They are a useful analytical tool for analysing the distortion of octahedra …

Electron-lattice interplay in from canonical Jahn-Teller distortion notations

MM Schmitt, Y Zhang, A Mercy, P Ghosez - Physical Review B, 2020 - APS
LaMnO 3 is considered as a prototypical Jahn-Teller perovskite compound, exhibiting a
metal-to-insulator transition at TJT= 750 K related to the joint appearance of an electronic …

Displacive Jahn–Teller Transition in NaNiO2

LAV Nagle-Cocco, AR Genreith-Schriever… - Journal of the …, 2024 - ACS Publications
Below its Jahn–Teller transition temperature, T JT, NaNiO2 has a monoclinic layered
structure consisting of alternating layers of edge-sharing NaO6 and Jahn–Teller-distorted …

Control of Multipolar and Orbital Order in Perovskite-like [C(NH2)3]CuxCd1–x(HCOO)3 Metal–Organic Frameworks

NL Evans, PMM Thygesen, HLB Boström… - Journal of the …, 2016 - ACS Publications
We study the compositional dependence of molecular orientation (multipolar) and orbital
(quadrupolar) order in the perovskite-like metal–organic frameworks [C (NH2) 3] Cu x Cd1–x …

Local structure study of the orbital order/disorder transition in

PMM Thygesen, CA Young, EOR Beake, FD Romero… - Physical Review B, 2017 - APS
We use a combination of neutron and x-ray total scattering measurements together with pair
distribution function (PDF) analysis to characterize the variation in local structure across the …

[PDF][PDF] Influence of annealing temperature on structural, electrical, and magnetic properties of Nd0. 7Ca0. 3MnO3

SA Mohamed, IA Abdel-Latif… - … Properties of Nd0 …, 2023 - digitalcommons.aaru.edu.jo
In this paper, we investigated the effect of annealing temperature on the electrical and
magnetic properties of polycrystalline Nd0. 7Ca0. 3MnO3 synthesized using the well-known …

Phase transition of generalized ferromagnetic Potts model-effect of invisible states

S Tanaka, R Tamura… - Journal of Physics …, 2011 - iopscience.iop.org
We investigate the nature of the phase transition of the ferromagnetic Potts model with
invisible states. The ferromagnetic Potts model with invisible states can be regarded as a …

Jahn-Teller induced nematic orbital order in tetragonal

J Teyssier, E Giannini, A Stucky, R Černý, MV Eremin… - Physical Review B, 2016 - APS
Using high resolution x-ray diffraction (XRD) on high purity powders, we resolved the
structure and ab symmetry of the intriguing compound Sr 2 VO 4 from room temperature …