Related papers: Electronic structure, magnetism and spin fluctuati…

Gaining growing attention in spintronics is a class of magnets displaying zero net magnetization and spin-split electronic bands called altermagnets. Here, by combining density functional theory and symmetry analysis, we show that RuF$_4$…

We used fully correlated ab initio calculations to determine the effective parameters of Hubbard and t - J models for the thermoelectric misfit compound $\rm Ca_3Co_4O_9$. As for the $\rm Na_xCoO_2$ family the Fermi level orbitals are the…

The electronic energy structures and magnetic properties of layered superconductors $R$Ni$_2$B$_2$C, $R$Fe$_4$Al$_8$ and FeSe are systematically studied, by using the density functional theory (DFT). The calculations allowed us to reveal a…

The aim of the paper is to contribute to reaching a deeper understanding of the formation of relativistic effects in altermagnets. The focus of the paper is on the phenomena of weak ferromagnetism (WFM) and relativistic DFT calculations…

SmCo$_5$ and YCo$_5$ are isostructural compounds both showing large magnetocrystalline anisotropy, where the former originates mainly from the crystal-electric field and magnetic interactions. We investigate the contribution of both…

In this work we study the interplay between the crystal structure and magnetism of the pyroarsenate \alpha-Cu_2As_2O_7 by means of magnetization, heat capacity, electron spin resonance and nuclear magnetic resonance measurements as well as…

The local electronic structures of La2CuO4, three members of the Yttrium-family (YBa2Cu3O6, YBa2Cu3O7, and YBa2Cu4O8), and to some extent of Nd2CuO4 have been determined using all-electron ab-initio cluster calculations for clusters…

The electronic structure in the normal state of CeFeAsO0.89F0.11 oxypnictide superconductors has been investigated with x-ray absorption and photoemission spectroscopy. All the data exhibit signatures of Fe d-electron itinerancy. Exchange…

Based on density functional theory band structure calculations, quantum Monte-Carlo simulations, and high-field magnetization measurements, we address the microscopic magnetic model of BaAg2Cu[VO4]2 that was recently proposed as a spin-1/2…

An intact CuO$_2$ plane is widely believed to be a prerequisite for the high-$T_c$ superconductivity in cuprate superconductors. However, an exception may exist in the superconducting Ba$_2$CuO$_{3+\delta}$ materials where CuO chains play a…

There is increasing evidence that inhomogeneous distributions of charge and spin--so-called "striped phases"--play an important role in determining the properties of the high-temperature superconductors. For example, recent…

The magnetization of amorphous DyCo3 and TbCo3 is studied by magnetometry, anomalous Hall effect and magneto-optic Kerr effect to understand the temperature-dependent magnetic structure. A square magnetic hysteresis loop with perpendicular…

The recent discovery of superconductivity coexisting with weak itinerant ferromagnetism in the $d$-electron intermetallic compound ZrZn$_{2}$ strongly suggests spin-fluctuation mediated superconductivity. {\it Ab initio} electronic…

A brief critical review is given of the 50-year history of experimental and theoretical studies of the magnetic properties of a new promising class of weak ferrimagnets such as RFe$_{1-x}$Cr$_x$O$_3$ with a non-magnetic R-ion (R = La , Y,…

We have investigated the electronic and magnetic properties of Co$_{1-{\rm x}}$Fe$_{\rm x}$Sb$_{3}$ skutterudites from density functional theory and Monte Carlo simulations. We find that above a certain threshold in the Fe concentration,…

Motivated by the search for design principles of rare-earth-free strong magnets, we present a study of electronic structure and magnetic properties of the ferromagnetic metal Fe3GeTe2 within local density approximation (LDA) of the density…

CeTe$_3$ is a van der Waals antiferromagnet composed of magnetic [CeTe]$^+$ layers coupled to highly conducting Te$^{0.5-}$ square nets. Its simple quasi-two-dimensional electronic structure and cleavable nature make it an appealing…

By using pseudopotential method with local spin density functional approximation, the electronic band structures of Na$_{x}$CoO$_{2}$ are calculated for $x=0.25$, 0.5, 0.75, and $x=1$ in the presence of the structure relaxations. As…

The quantum spin fluctuations of the S = 1/2 Cu ions are important in determining the physical properties of the high-transition temperature (high-Tc) copper oxide superconductors, but their possible role in the electron pairing for…

We present results of a Raman scattering study of the Kagome ferromagnet Co$_3$Sn$_2$S$_2$, with a focus on electronic and phononic excitations and their interplay. We provide a theoretical analysis of the electronic band structure,…