Related papers: Anomalous electron-phonon interaction in doped LaO…
Electron-phonon interactions (EPIs) represent a fundamental cornerstone of condensed matter physics, commanding persistent attention due to their pivotal role in driving novel quantum phenomena within low-dimensional materials. Here, we…
We report a theoretical study of the effects of electronic correlations, magnetic properties, and chemical bonding in the recently synthesized high-pressure orthorhombic phase of FeN$_2$ using the DFT+dynamical mean-field theory approach.…
The electronic origin of the huge magnetostructural effect in layered Fe-As compounds is elucidated using LiFeAs as a prototype. The crucial feature of these materials is the strong covalent bonding between Fe and As, which tends to…
Strong electron-electron interactions are known to significantly modify the electron-phonon coupling relative to the predictions of density functional theory, but this effect is challenging to calculate with realistic theories of strongly…
Using the degenerate double exchange Hamiltonian with on-site Coulomb interactions we show that there is an instability towards the displacement of the manganese ion in La_{1-x}Ca_{x}MnO_{3}. The result is a dipole moment due to the charge…
Electron-phonon ($e$-ph) interactions are key to understanding the dynamics of electrons in materials, and can be modeled accurately from first-principles. However, when electrons and holes form Coulomb-bound states (excitons), quantifying…
The two-layer square lattice quantum antiferromagnet with spins 1/2 shows a magnetic order-disorder transition at a critical ratio of the interplane to intraplane couplings. We investigate the dynamics of a single hole in a bilayer…
A number of transition-metal (TM) doped group-IV semiconductors, R$_{x}$Y$_{1-x}$ (R=Cr, Mn and Fe; Y=Si, Ge), have been studied by the first principles calculations. The obtained results show that antiferromagnetic (AFM) order is…
The monolayer of black phosphorous, or phosphorene, has recently emerged as a new 2D semiconductor with intriguing highly anisotropic transport properties. Existing calculations of its intrinsic phonon-limited electronic transport…
The presence of spin-polarized charge carriers in metallic magnets provides a mechanism for spin-lattice interactions mediated by electron-phonon coupling. Here, we present a theory of this mechanism used to estimate its effect on the…
High-resolution and high-flux neutron as well as X-ray powder-diffraction experiments were performed on the oxypnictide series LaO(1-x)FxFeAs with 0<x<0.15 in order to study the crystal and magnetic structure. The magnetic symmetry of the…
We present a dynamical mean-field study of the nonperturbative electronic mechanisms, which may lead to significant enhancements of the electron-phonon coupling in correlated electron systems. Analyzing the effects of electronic…
We investigate the interplay of the electron-phonon and the spin fluctuation interaction for the superconducting state of YBa$_2$Cu$_3$O$_{7}$. The spin fluctuations are described within the nearly antiferromagnetic Fermi liquid theory,…
In this paper we compute the mean field phase diagram of a doped antiferromagnet, in a magnetic field and with anisotropic exchange. We show that at zero temperature there is a metamagnetic transition from the antiferromagnetic…
There are large isotope effects in the phonon kinks observed in photoemission spectra (ARPES) of optimally doped cuprate high temperature superconductors (HTSC), but they are quite different (Gweon et al. 2004) from those expected for a…
The observation of strongly coupled lattice and spin dynamics in altermagnet CoF$_2$ is reported. On the background of the expected spin-phonon interaction leading to renormalization of all phonons at the Neel temperature an additional…
The electronic and magnetic properties of the mother material LaOFeAs of new superconductors have been carefully studied using first-principles electronic structure calculations based on the generalized gradient approximation in the density…
We show that the combined effects of spin-orbit, monoclinic distortion, and p-d hybridization in tetrahedrally coordinated Fe in LaOFeAs invalidates the naive Hund's rule filling of the Fe d-levels. The two highest occupied levels have one…
The interplay between structural phase and electronic correlations has been an intriguing topic of research. An prominent example is the pressure-induced uncollapsed to collapsed tetragonal phase transition observed in CaFe$_2$As$_2$, which…
To understand spin interactions in materials of the Cu$_2$Sb structure type, inelastic neutron scattering of Fe$_2$As single crystals was examined at different temperatures and incident neutron energies. The experimental phonon spectra…