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Charge ordering (CO) is a phenomenon in which electrons in solids crystallize into a periodic pattern of charge-rich and charge-poor sites owing to strong electron correlations. This usually results in long-range order. In geometrically…

At the forefront of nanochemistry, there exists a research endeavor centered around intermetallic nanocrystals, which are unique in terms of long-range atomic ordering, well-defined stoichiometry, and controlled crystal structure. In…

Chemical Physics · Physics 2018-03-16 Yucong Yan , Jingshan S. Du , Kyle D. Gilroy , Deren Yang , Younan Xia , Hui Zhang

The precise knowledge of the atomic order in monocrystalline alloys is fundamental to understand and predict their physical properties. With this perspective, we utilized laser-assisted atom probe tomography to investigate the…

Materials Science · Physics 2017-04-19 S. Mukherjee , N. Kodali , D. Isheim , S. Wirths , J. M. Hartmann , D. Buca , D. N. Seidman , O. Moutanabbir

Crystalline materials have atomic-scale fluctuations in their chemical composition that modulate various mesoscale properties. Establishing chemistry-microstructure relationships in such materials requires proper characterization of these…

Materials Science · Physics 2024-10-01 Killian Sheriff , Yifan Cao , Rodrigo Freitas

The growth rates and chemical ordering of ferroelectric alloys are studied with kinetic Monte Carlo (KMC) simulations using an electrostatic model with long-range Coulomb interactions, as a function of temperature, chemical composition, and…

Materials Science · Physics 2016-08-31 Malliga Suewattana , Henry Krakauer , Shiwei Zhang

KV3Sb5 has recently attracted a considerable attention, due to its low temperature superconducting properties, which are heralded by a charge density wave. The apparent presence of a very weak magnetism does not result in long range…

Strongly Correlated Electrons · Physics 2022-08-31 V. Scagnoli , D. D. Khalyavin , S. W. Lovesey

NaNbO3-based antiferroelectric materials offer a promising pathway towards greener and more cost-effective energy storage devices. However, their intrinsic structural instabilities often lead to reduced energy density that compromises their…

Two-dimensional van der Waals crystals arise limitless scope for designing novel combinations of physical properties via controlling the stacking order or twist angle of individual layers. Lattice orientation between stacked monolayers is…

The presence of phonon instabilities that leads to the formation of charge modulated states in kagome metals has allowed their classification based on the atomic displacements. Here, we use diffuse and inelastic x-ray scattering, backed by…

Strongly Correlated Electrons · Physics 2025-08-20 A. Korshunov , C. A. Fuller , C. -Y. Lim , A. Kar , S. Roychowdhury , D. Chernyshov , C. Shekhar , A. Bosak , C. Felser , S. Blanco-Canosa

Possible ways of identification are discussed of an electronic order of higher multipoles such as octupoles and hexadecapoles. A particularly powerful method is resonant X-ray scattering (RXS) using quadrupolar resonance processes called…

Strongly Correlated Electrons · Physics 2009-11-11 Y. Kuramoto , H. Kusunose , A. Kiss

NaOsO$_3$ has recently attracted significant attention for the strong coupling between its electronic band structure and magnetic ordering. Here, we used time-resolved magnetic X-ray diffraction to determine the timescale of the…

Over past decades, high energy X-ray diffraction techniques at synchrotron beamline offer us the unique possibility to follow concomitantly some mechanisms on the grain level in metallic materials. Crystal rotation, as one important factor…

Materials Science · Physics 2024-05-07 Zhida Liang , Emad Maawad , Florian Pyczak

The phonon scattering processes on the three solid phases of ethanol are investigated by means of thermal conductivity, light and neutron scattering measurements as well as molecular dynamics simulations on single-crystalline models for the…

To describe chemical ordering in solid solutions systems Warren-Cowley short-range parameters are ordinarily used. However, they are not directly suited for application to long-range ordered systems, as they do not converge to zero for…

Chemical Physics · Physics 2016-12-21 Markus Stana , Bogdan Sepiol , Rafal Kozubski , Michael Leitner

We extend the Weak Crystallization theory to the case of metallic alloys. The additional ingredient -- itinerant electrons -- generates nontrivial dependence of free energy on the angles between ordering wave vectors of ionic density. That…

Materials Science · Physics 2016-06-29 Ivar Martin , Sarang Gopalakrishnan , Eugene A. Demler

A simulation study demonstrates that localization can arise as the result of the breakdown of stable quasi-crystal-like atomic configurations. Samples produced at elevated quench rates and via more energetic processes contain a lower…

Materials Science · Physics 2007-05-23 Yunfeng Shi , Michael L. Falk

Conventional crystalline alloys usually possess a low atomic size difference in order to stabilize its crystalline structure. However, in this article, we report a single phase chemically complex alloy which possesses a large atomic size…

High-temperature superconductor $Bi_{2}Sr_{2}CaCu_{2}O_{8}+x$ has been investigated by the high-resolution electron microscope (HREM) and the photodensitometric technique in order to resolve the sub-atomic shifts in the modulated structure.…

Chaotic Dynamics · Physics 2007-05-23 D. Kunstelj , M. Martinis , A. Knežević

Nanoscale strain mapping by four-dimensional scanning transmission electron microscopy (4D-STEM) relies on determining the precise locations of Bragg-scattered electrons in a sequence of diffraction patterns, a task which is complicated by…

Splitting methods constitute a well-established class of numerical schemes for the time integration of partial differential equations. Their main advantages over more traditional schemes are computational efficiency and superior geometric…

Numerical Analysis · Mathematics 2017-01-06 Lukas Einkemmer , Alexander Ostermann