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We investigate the impact of mechanical strains and a perpendicular electric field on the electronic and magnetic ground-state properties of two-dimensional monolayer CrI$_3$ using density functional theory. We propose a minimal spin model…

Materials Science · Physics 2020-09-23 Sahar Izadi Vishkayi , Zahra Torbatian , Alireza Qaiumzadeh , Reza Asgari

In the framework of ab initio dynamical mean field theory for realistic electronic structure calculations a new perturbation scheme which combine the T-matrix and fluctuating exchange approximations has been proposed. This method is less…

Strongly Correlated Electrons · Physics 2009-11-07 M. I. Katsnelson , A. I. Lichtenstein

Laser-atom interaction can be an efficient mechanism for the production of coherent electrons. We analyze the dynamics of monoenergetic electrons in the presence of uniform, perpendicular magnetic and electric fields. The Green function…

Quantum Physics · Physics 2007-05-23 Tobias Kramer , Christian Bracher , Manfred Kleber

The strength of electronic correlation effects in the spin-dependent electronic structure of ferromagnetic bcc Fe(110) has been investigated by means of spin and angle-resolved photoemission spectroscopy. The experimental results are…

The electric field effect on magnetic anisotropy was studied in an ultrathin Fe(001) monocrystalline layer sandwiched between Cr buffer and MgO tunnel barrier layers, mainly through post-annealing temperature and measurement temperature…

Based on first principles calculations we investigate the electronic and magnetic properties of Pt layers in Pd$(001)$/Co/Pt thin film structures exposed to an external electric field. Due to the Co underlayer, the surface Pt layers have…

Materials Science · Physics 2021-02-10 Eszter Simon , Alberto Marmodoro , Sergiy Mankovsky , Hubert Ebert

We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactions (Jij), as obtained by means of a combination of density…

Computational Physics · Physics 2015-10-14 S. Keshavarz , Y. O. Kvashnin , I. Di Marco , A. Delin , M. I. Katsnelson , A. I. Lichtenstein , O. Eriksson

An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…

The effective electron-electron interaction in the electron gas depends on both the density and spin local field factors. Variational Diagrammatic Quantum Monte Carlo calculations of the spin local field factor are reported and used to…

Quantum Gases · Physics 2021-01-27 Carl A. Kukkonen , Kun Chen

Electronic surface states in one-dimensional two-band TBA model are studied by use of the Green function method. The local density of states (LDOS) at successive atoms in a semi-infinite chain, even in the case of atoms distant from the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Jaroslaw Klos

We report on the exchange bias between antiferromagnetic and ferroelectric hexagonal YMnO3 epitaxial thin films sandwiched between a metallic electrode (Pt) and a soft ferromagnetic layer (Py). Anisotropic magnetoresistance measurements are…

Strongly Correlated Electrons · Physics 2009-11-13 V. Laukhin , X. Marti , V. Skumryev , D. Hrabovsky , F. Sanchez , M. V. Garcia-Cuenca , C. Ferrater , M. Varela , U. Luders , J. F. Bobo , J. Fontcuberta

Electron-electron ($e$-$e$) and electron-phonon ($e$-ph) interactions are challenging to describe in correlated materials, where their joint effects govern unconventional transport, phase transitions, and superconductivity. Here we combine…

Materials Science · Physics 2024-01-05 David J. Abramovitch , Jin-Jian Zhou , Jernej Mravlje , Antoine Georges , Marco Bernardi

We present a detailed first principles study on the magnetic structure of an Fe monolayer on different surfaces of 5d transition metals. We use the spin-cluster expansion technique to obtain parameters of a spin model, and predict the…

Materials Science · Physics 2014-05-06 E. Simon , K. Palotás , B. Ujfalussy , A. Deák , G. M. Stocks , L. Szunyogh

This study presents the effect of local electronic correlations on the Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure…

Strongly Correlated Electrons · Physics 2009-04-22 S Chadov , G. H. Fecher , C. Felser , J. Minár , J. Braun , H. Ebert

We explore possibilities for control of magnons in two-dimensional heterostructures by an external electric field acting across a dielectric barrier. By performing ab-initio calculations for a Fe monolayer and a Fe bilayer, both suspended…

Materials Science · Physics 2022-05-25 Alberto Marmodoro , Sergiy Mankovsky , Hubert Ebert , Jan Minár , Ondřej Šipr

The electronic structure of Co/Cu(001) and Fe/Cr(001) magnetic multilayers has been investigated within the local density approximation combined with dynamical mean field theory. Our calculation shows enhanced density of states at the Fermi…

Strongly Correlated Electrons · Physics 2007-05-23 L. Chioncel , A. I. Lichtenstein

A model consisting of random interacting anti-ferromagnetic (AF) grains coupled to a ferromagnetic (FM) layer is developed to study the exchange bias phenomenon. This simple model is able to describe several exchange bias behavior observed…

Statistical Mechanics · Physics 2009-11-11 Hwee Kuan Lee , Yutaka Okabe

We have investigated crystalline magnetic anisotropy in the electric field (EF) for the Fe-Pt surface which have a large perpendicular anisotropy, by means of the first-principles approach. The anisotropy is reduced linearly with respect to…

Materials Science · Physics 2015-05-13 Masahito Tsujikawa , Tatsuki Oda

The calculation of interatomic magnetic exchange interactions entering the Heisenberg model from the standpoint of the density functional theory (DFT) is outlined for two Fe-based molecular magnets: a trinuclear complex with a Schiff base…

Materials Science · Physics 2007-05-23 A. V. Postnikov , G. Bihlmayer , S. Bluegel

Recent advancements on the fabrication of organic micro- and nanostructures have permitted the strong collective light-matter coupling regime to be reached with molecular materials. Pioneering works in this direction have shown the effects…