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Using Density Functional Theory (DFT) calculations and Monte-Carlo (MC) simulations, we investigate the recently reported magnetic transition in B2 Al-Cr-Co alloys. The Cr sublattice is alloyed with different amounts of Co in the…

We measure spin-orbit torques (SOTs) in a unique model system of all-epitaxial ferrite/Pt bilayers to gain insights into charge-spin interconversion in Pt. With negligible electronic conduction in the insulating ferrite, the crystalline Pt…

Charge transfer plays a crucial role in many processes of interest in physics, chemistry, and bio-chemistry. In many applications the size of the systems involved calls for time-dependent density functional theory (TDDFT) to be used in…

Chemical Physics · Physics 2017-10-11 Neepa T. Maitra

The frequency and temperature dependence of the optical conductivity of ferromagnetic manganites is explained within the framework of the bipolaron theory. As these materials are cooled below the Curie temperature, the colossal…

Strongly Correlated Electrons · Physics 2007-05-23 A. S. Alexandrov , A. M. Bratkovsky

Charge-transfer (CT) exciton effects are investigated for the optical absorption spectra of crosslinked C60 systems by using the intermediate exciton theory. We consider the C60-dimers, and the two (and three) molecule systems of the…

chem-ph · Physics 2008-02-03 K. Harigaya

The organic salt $\alpha$-(BEDT-TTF)$_2$I$_3$ is considered a model system for metal-insulator transition due to electronic charge ordering at $T_{\rm CO}=135$~K. The optical properties obtained from polarized reflection measurements above…

Strongly Correlated Electrons · Physics 2016-03-25 T. Peterseim , M. Dressel

A mechanism for charge-ordered ferromagnetic phase in manganites is proposed. The mechanism is based on the double exchange in the presence of diagonal disorder. It is modeled by a combination of the Ising double-exchange and the…

Strongly Correlated Electrons · Physics 2009-11-10 Tran Minh-Tien

Natural optical activity is the paradigmatic example of an effect originating in the weak spatial inhomogeneity of the electromagnetic field on the atomic scale. In molecules, such effects are well described by the multipole theory of…

Materials Science · Physics 2023-05-31 Óscar Pozo , Ivo Souza

Charge transfer between molecules and catalysts plays a critical role in determining the efficiency and yield of photo-chemical catalytic processes. In this paper, we study light-induced electron transfer between transition metal doped…

Materials Science · Physics 2021-09-15 Alexandra Göbel , Angel Rubio , Johannes Lischner

Acquiring quantitative information on charge transfer (CT) dynamics at the nanoscale remains an important scientific challenge. In particular, CT processes in single molecules at surfaces needs to be investigated to be properly controlled…

Mesoscale and Nanoscale Physics · Physics 2017-06-20 Hatem Labidi , Henry Pinto , Jerzy Leszczynski , Damien Riedel

Experimentally observed ultrafast all-optical magnetization reversal in ferrimagnetic metals and heterostructures based on antiferromagnetically coupled ferromagnetic $d-$ and $f-$metallic layers relies on intricate energy and angular…

Strongly Correlated Electrons · Physics 2016-03-02 Alexandra Kalashnikova , Veniamin Kozub

We present the combination of Density Functional Theory (DFT) and Dynamical Mean Field Theory (DMFT) for computing the electron transmission through two-terminals nanoscale devices. The method is then applied to metallic junctions…

Strongly Correlated Electrons · Physics 2022-09-14 Andrea Droghetti , Milos M. Radonjić , Liviu Chioncel , Ivan Rungger

The standard field-theoretical procedure to study the effect of long wavelength fluctuations on a genuine second-order phase transition is applied to the Mode-Coupling-Theory (MCT) dynamical singularity at $T_c$ in the $\beta$ regime.…

Disordered Systems and Neural Networks · Physics 2013-07-17 Tommaso Rizzo

We investigated the series of temperature and field-driven transitions in LuFe$_2$O$_4$ by optical and M\"{o}ssbauer spectroscopies, magnetization, and x-ray scattering in order to understand the interplay between charge, structure, and…

Strongly Correlated Electrons · Physics 2008-11-28 X. S. Xu , M. Angst , T. V. Brinzari , R. P. Hermann , J. L. Musfeldt , A. D. Christianson , D. Mandrus , B. C. Sales , S. McGill , J. -W. Kim , Z. Islam

We investigate the dynamics of correlated charge carriers in the vicinity of the Mott metal-to-insulator transition in various of the title quasi-two-dimensional organic charge-transfer salts by means of fluctuation (noise) spectroscopy.…

Strongly Correlated Electrons · Physics 2015-03-19 Jens Brandenburg , Jens Müller , Dieter Schweitzer , John A. Schlueter

Magnetic clock transitions (CTs), defined by vanishing first-order sensitivity of the transition frequency to magnetic field fluctuations, provide a powerful route to suppress decoherence in donor spin systems. Here, we present the…

We generalize magnetoelectronic circuit theory to account for spin transfer to and from the atomic lattice via interfacial spin-orbit coupling. This enables a proper treatment of spin transport at interfaces between a ferromagnet and a…

Mesoscale and Nanoscale Physics · Physics 2016-09-21 V. P. Amin , M. D. Stiles

The phenomenology of charge transport in synthetic metals is reviewed. It is argued that the conventional quasiparticle picture and Boltzmann transport theory do not apply to these materials. The central ideas of Fermi liquid theory are…

Strongly Correlated Electrons · Physics 2007-05-23 V. J. Emery , S. A. Kivelson , V. N. Muthukumar

The longitudinal nonreciprocal charge transport (NCT) in crystalline materials is a highly non-trivial phenomenon, motivating the design of next generation two-terminal rectification devices (e.g., semiconductor diodes beyond PN junctions).…

Materials Science · Physics 2024-09-25 Hong Jian Zhao , Lingling Tao , Yuhao Fu , Laurent Bellaiche , Yanming Ma

We develop an effective potential approach for assessing the flow of charge within a two-dimensional donor-acceptor/metal network based on core-level shifts. To do so, we perform both density functional theory (DFT) calculations and x-ray…