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Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of…

Superconductivity · Physics 2022-09-13 Xiaobo Ma , Guangwei Wang , Rui Liu , Tianye Yu , Yiran Peng , Pengyu Zheng , Zhiping Yin

The existence of the V3+ ion orbital moment is the open issue of the nature of magnetism in the van der Waals ferromagnet VI3. The huge magnetocrystalline anisotropy in conjunction with the significantly reduced ordered magnetic moment…

Materials Science · Physics 2023-03-06 David Hovancik , Cinthia Piamonteze , Jiri Pospisil , Karel Carva , Vladimir Sechovsky

In this work we present a comparative investigation of the electronic structures of NbO$_2$ and VO$_2$ obtained within the combination of density functional theory and cluster-dynamical mean field theory calculations. We investigate the…

Strongly Correlated Electrons · Physics 2017-11-08 W. H. Brito , M. C. O. Aguiar , K. Haule , G. Kotliar

We show here that orbital degrees of freedom produce a distinct signature in the magnetic excitation spectrum of iron-based superconductors above the magnetic ordering temperature. Because $d_{xz}$ and $d_{yz}$ orbitals are strongly…

Strongly Correlated Electrons · Physics 2012-09-19 Wei-Cheng Lee , Weicheng Lv , J. M. Tranquada , Philip W. Phillips

Experimental observations of the ultrafast (less than 50 fs) demagnetization of Ni have so far defied theoretical explanations particularly since its spin-flipping time is much less than that resulting from spin-orbit and electron-lattice…

Strongly Correlated Electrons · Physics 2020-07-08 Shree Ram Acharya , Volodymyr Turkowski , Guo-ping Zhang Talat S. Rahman

Mn$_3$Si$_2$Te$_6$ is a rare example of a layered ferrimagnet. It has recently been shown to host a colossal angular magnetoresistance as the spin orientation is rotated from the in- to out-of-plane direction, proposed to be underpinned by…

The availability of large magnetic fields at international facilities and of simulated magnetic fields that can reach the flux-quantum-per-unit-area level in cold atoms, calls for systematic studies of orbital effects of the magnetic field…

Strongly Correlated Electrons · Physics 2018-08-20 S. Acheche , L-F. Arsenault , A. -M. S. Tremblay

By means of Dynamical Mean-Field Theory we investigate the spin response function of a model for correlated materials with d- or f-electrons hybridized with more delocalized ligand orbitals. We point out the existence of two different…

Strongly Correlated Electrons · Physics 2013-10-14 A. Amaricci , N. Parragh , M. Capone , G. Sangiovanni

Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…

Chemical Physics · Physics 2022-05-16 Jerry L. Whitten

Electronic correlations beyond static mean-field theories are of fundamental importance in describing the properties of complex materials - such as transition-metal oxides - where the low-energy physics is driven by localized d or f…

Strongly Correlated Electrons · Physics 2025-03-17 Mario Caserta , Tommaso Chiarotti , Marco Vanzini , Nicola Marzari

First-principles density functional theory calculations have been performed to understand the electronic structure and orbital polarization of LaNiO$_3$ with a reduced coordination and under strain. From the slab calculation to simulate…

Materials Science · Physics 2011-10-03 Myung Joon Han , Michel van Veenendaal

The electronic band structure of bulk ferromagnetic iron is explored by angle-resolved photoemission for electron correlation effects. Fermi surface cross-sections as well as band maps are contrasted with density functional calculations.…

Strongly Correlated Electrons · Physics 2015-06-24 J. Schaefer , M. Hoinkis , Eli Rotenberg , P. Blaha , R. Claessen

In conventional metals, electronic transport in a magnetic field is characterized by the motion of electrons along orbits on the Fermi surface, which usually causes an increase in the resistivity through averaging over velocities. Here we…

Mesoscale and Nanoscale Physics · Physics 2016-11-07 Maxim Breitkreiz , Philip M. R. Brydon , Carsten Timm

We theoretically study the role of electron-electron interactions in one-dimensional magnetized helical states coupled to an s-wave superconductor. We consider a partially mixed helical (superhelical) regime, where the magnetic field…

Strongly Correlated Electrons · Physics 2025-09-01 Zeinab Bakhshipour , Mir Vahid Hosseini

The consequences of dynamical screening of Coulomb interaction among correlated electrons in realistic materials have not been widely considered before. In this letter we try to incorporate a frequency dependent Coulomb interaction into the…

Strongly Correlated Electrons · Physics 2014-12-04 Li Huang , Yilin Wang

Recent neutron scattering experiments on V2O3 show that the magnetic fluctuations on the metallic side of the antiferromagnetic metal-insulator transition are not related to the spin structure of the insulator, but rather to the…

Strongly Correlated Electrons · Physics 2016-08-31 T. Wolenski , M. Grodzicki , J. Appel

To give a general description of the influences of electric fields or currents on magnetization dynamics, we developed a semiclassical theory for the magnetization implicitly coupled to electronic degrees of freedom. In the absence of…

Mesoscale and Nanoscale Physics · Physics 2018-07-25 Bangguo Xiong , Hua Chen , Xiao Li , Qian Niu

The relationship between the modern and classical Landau's approach to carrier orbital magnetization is studied theoretically within the envelope function approximation, taking ferromagnetic (Ga,Mn)As as an example. It is shown that while…

Materials Science · Physics 2014-08-04 Cezary Śliwa , Tomasz Dietl

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

The acoustic excitations of the expanded metal solutions Li-NH$_3$ have been measured by inelastic X-ray scattering as a function of the electron density by changing the Li concentration. The dielectric functions of these model metals with…

Condensed Matter · Physics 2007-05-23 P. Giura , R. Angelini , C. A. Burns , G. Monaco , F. Sette