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 …
crystallography was understood soon after it was shown that crystals diffract X-rays …
Design of crystal-like aperiodic solids with selective disorder–phonon coupling
Functional materials design normally focuses on structurally ordered systems because
disorder is considered detrimental to many functional properties. Here we challenge this …
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 …
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
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 …
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 …
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 …
(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 …
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 …
magnetic properties of polycrystalline Nd0. 7Ca0. 3MnO3 synthesized using the well-known …
Phase transition of generalized ferromagnetic Potts model-effect of invisible states
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 …
invisible states. The ferromagnetic Potts model with invisible states can be regarded as a …
Jahn-Teller induced nematic orbital order in tetragonal
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 …
structure and ab symmetry of the intriguing compound Sr 2 VO 4 from room temperature …