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We use density functional theory plus dynamical mean-field theory (DFT+DMFT) to study multiple control parameters for tuning the metal-insulator transition (MIT) in CaVO$_3$ thin films. We focus on separating the effects resulting from…

Strongly Correlated Electrons · Physics 2018-02-14 Sophie Beck , Gabriele Sclauzero , Uday Chopra , Claude Ederer

Hexagonal YMnO$_3$ is well known for the co-occurrence of ferroelectricity and antiferromagnetism at low temperatures. Using temperature-dependent spectroscopic ellipsometry at an $a$-plane oriented single crystal, we show how the…

Materials Science · Physics 2015-03-16 Steffen Richter , Stefan G. Ebbinghaus , Marius Grundmann , Rüdiger Schmidt-Grund

Superconductivity in infinite-layer nickelates holds exciting analogies with that of cuprates, with similar structures and $3d$-electron count. Using resonant inelastic x-ray scattering (RIXS) we studied electronic and magnetic excitations…

We apply ultrafast spectroscopy to establish a time-domain hierarchy between structural and electronic effects in a strongly-correlated electron system. We discuss the case of the model system VO2, a prototypical non-magnetic compound that…

Strongly Correlated Electrons · Physics 2007-05-23 A. Cavalleri , Th. Dekorsy , H. H. Chong , J. C. Kieffer , R. W. Schoenlein

Optically-induced phase transitions of the manganite $\rm Pr_{1/3}Ca_{2/3}MnO_3$ have been simulated using a model Hamiltonian, that captures the dynamics of strongly correlated charge, orbital, lattice, and spin degrees of freedom. Its…

Strongly Correlated Electrons · Physics 2020-12-01 Sangeeta Rajpurohit , Liang Z. Tan , Christian Jooss , P. E. Blöchl

Transition metal phosphorous trichalcogenides, $M{\rm P}X_3$ ($M$ and $X$ being transition metal and chalcogen elements respectively), have been the focus of substantial interest recently because of their possible magnetism in the…

Strongly Correlated Electrons · Physics 2019-12-05 Heung-Sik Kim , David Vanderbilt , Kristjan Haule

The thermodynamics of the antiferromagnetic ordering transition in NiO and the photoelectron spectra in the antiferromagnetic phase are studied by the Variational Cluster Approximation. Using realistic Racah parameters to describe the…

Strongly Correlated Electrons · Physics 2015-04-01 R. Eder

We have fabricated indium-doped ZnO (IZO) nanowires (NWs) and carried out 4-probe electrical-transport measurements at low temperatures. The NWs reveal charge conduction behavior characteristic of disordered metals. In addition to the $T$…

Mesoscale and Nanoscale Physics · Physics 2017-02-21 Shao-Pin Chiu , Jia G. Lu , Juhn-Jong Lin

The formation of excitonic insulator phases in quantum materials is often masked by structural distortions caused by the coupling between electronic and phononic order parameters. Here we show that the candidate material Ta$_2$NiSe$_5$ is…

Strongly Correlated Electrons · Physics 2026-02-02 Giacomo Mazza

We perform core-level X-ray photoemission spectroscopy (XPS) and electronic Raman scattering studies of electronic structures and spin fluctuations in the bulk samples of the nickelate oxide NdNiO$_2$. According to Nd $3d$ and O $1s$ XPS…

Memory effects during metal-insulator transitions in quantum materials reveal complex physics and potential for novel electronics mimicking biological neural systems. Nonetheless, understanding of memory and nonlinearity in sequential…

The Verwey transition in magnetite (Fe3O4 ) is the prototypical metal-insulator transition and has eluded a comprehensive explanation for decades. A major element of the challenge is the complex interplay between charge order and lattice…

Strongly Correlated Electrons · Physics 2022-11-23 Wei Wang , Junjie Li , Lijun Wu , Jennifer Sears , Fuhao Ji , Xiaozhe Shen , Alex H. Reid , Jing Tao , Ian K. Robinson , Yimei Zhu , Mark P. M. Dean

Phase separation naturally occurs in a variety of magnetic materials and it often has a major impact on both electric and magnetotransport properties. In resistive switching systems, phase separation can be created on demand by inducing…

The effect of high tensile strain and low dimensionality on the magnetic and electronic properties of CaMnO$_3$ ultrathin films, epitaxially grown on SrTiO$_3$ substrates, are experimentally studied and theoretically analyzed. By means of…

Materials Science · Physics 2020-09-02 A. López Pedroso , M. A. Barral , M. E. Graf , A. M. Llois , M. H. Aguirre , L. B. Steren , S. Di Napoli

Ultrafast spectroscopy paved the way for probing transient states of matter produced through photoexcitation. Despite significant advances, the microscopic processes governing the formation of these states remain largely unknown. This study…

Materials Science · Physics 2024-08-23 Francesco Libbi , Anders Johansson , Boris Kozinsky , Lorenzo Monacelli

We study a model for the metal-insulator (MI) transition in the rare-earth nickelates RNiO$_3$, based upon a negative charge transfer energy and coupling to a rock-salt like lattice distortion of the NiO$_6$ octahedra. Using exact…

Strongly Correlated Electrons · Physics 2014-03-12 Steve Johnston , Anamitra Mukherjee , Ilya Elfimov , Mona Berciu , George A. Sawatzky

Nonlinear phononics holds the promise for controlling properties of quantum materials on the ultrashort timescale. Using nonequilibrium dynamical mean-field theory, we solve a model for the description of organic solids, where correlated…

Strongly Correlated Electrons · Physics 2021-01-27 Francesco Grandi , Jiajun Li , Martin Eckstein

We study the photo-induced metallization process in niobium dioxide NbO$_2$. This compound undergoes the thermal insulator-to-metal transition at the remarkably high temperature of 1080 K. Our optical pump - terahertz probe measurements…

Strongly Correlated Electrons · Physics 2019-01-09 Rakesh Rana , J. Michael Klopf , Jörg Grenzer , Harald Schneider , Manfred Helm , Alexej Pashkin

Magnetic phase transitions have been explored in a superlattice formed by stacking monolayers of $\rm LaTiO_{3}$ and $\rm LaVO_{3}$ alternately, using ab-initio density functional theory (DFT) and Monte-Carlo (MC) simulations. DFT derived…

Computational Physics · Physics 2022-05-10 Mukesh Sharma , Tulika Maitra

We compute the electronic structure, spin and charge state of Fe ions, and structural phase stability of paramagnetic CaFeO$_3$ under pressure using a fully self-consistent in charge density DFT+dynamical mean-field theory method. We show…

Strongly Correlated Electrons · Physics 2022-02-01 I. Leonov