Related papers: First-principles study of the spin-lattice coulpli…
Paramagnetic molecules can show long spin-coherence times, which make them good candidates as quantum bits. Reducing the efficiency of the spin-phonon interaction is the primary challenge towards achieving long coherence times over a wide…
We study the interplay of spin, orbital and lattice degrees of freedom in a one-dimensional Kugel-Khomskii model coupled to phonons. In the vicinity of the dimer point we analyze the excitation spectrum, mapping the spin and orbital degrees…
The pressure dependence of a large number of phonon modes in CaFe2As2 with energies covering the full range of the phonon spectrum has been studied using inelastic x-ray and neutron scattering. The observed phonon frequency changes are in…
With polarized and angle-resolved Raman spectroscopy studies on single two-dimensional layered perovskites (2DLP) flakes with different ammonium molecules as organic cations, in 2020 we revealed the very rich phonon spectra in the…
The electronic structures, lattice dynamics, and magnetic properties of crystal {\beta}-FeSe under hydrostatic pressure have been studied by using the first-principles electronic structure calculations with van der Waals (vdW) corrections.…
The longitudinal dipole response of a quantum dot has been calculated in the far-infrared regime using local spin density functional theory. We have studied the coupling between the collective spin and density modes as a function of the…
We investigate the effect of tuning the phonon energy on the correlation effects in models of electron-phonon interactions using DMFT. In the regime where itinerant electrons, instantaneous electron-phonon driven correlations and static…
Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at…
The electron-phonon and spin-phonon coupling in typical high-T_C cuprates, like LSCO and HBCO are peaked for just a few q-vectors because of the 2-dimensional Fermi surface shape. The activation of few spin-phonon modes compensates for the…
Time-domain femtosecond laser spectroscopic measurements of the ultrafast lattice dynamics in 2H-MoTe2 bulk crystals were carried out to understand the carrier-phonon interactions that govern electronic transport properties. An unusually…
Electronic structure near Fermi level of Pr2CoFeO6 (at 300 K) was investigated by X-ray photoemission spectroscopy (XPS) technique. All three cations, i.e., Pr, Co and Fe were found to be trivalent in nature. XPS analysis also suggested the…
The nature of the lattice instability connected to the structural transition and superconductivity of (Sr,Ca)$_3$Ir$_4$Sn$_{13}$ is not yet fully understood. In this work density functional theory (DFT) calculations of the phonon…
Polarized Raman-scattering spectra of superconducting, single-crystalline FeSe evidence pronounced phonon anomalies with temperature reduction. A large 6.5% hardening of the B_1g(Fe) phonon mode is attributed to the suppression of local…
The existence and stability of spin-liquid phases represent a central topic in the field of frustrated magnetism. While a few examples of spin-liquid ground states are well established in specific models (e.g. the Kitaev model on the…
Enhanced coupling of material properties offers new fundamental insights and routes to multifunctional devices. In this context 5d oxides provide new paradigms of cooperative interactions driving novel emergent behavior. This is exemplified…
Detailed far-infrared spectra of the optical phonons are reported for antiferromagnetic MnO. Eigenfrequencies, phonon damping and effective plasma frequencies are studied as a function of temperature. Special attention is paid to the phonon…
The quasi-one-dimensional Ising spin chain system $\alpha$-CoV$_2$O$_6$ is considered to exhibit fascinating magnetic properties at lower temperatures. We comprehensively study magnetic properties and lattice dynamics using a combination of…
Spin-phonon coupling, the interaction of spins with surrounding lattice is a key parameter to understand the underlying physics of multiferroics and engineer their magnetization dynamics. Elementary excitations in multiferroic materials are…
The spin-Peierls instability in spin 1/2 XY chain coupled to dispersionless phonons of frequency $\omega$ has been studied in the nonadiabatic limit. We have chosen the Lang-Firsov variational wave function for the phonon subsystem to…
We compute the phonon dispersion, density of states, and the Gr\"uneisen parameters of bulk palladium in the combined density functional theory (DFT) and dynamical mean-field theory (DMFT). We find good agreement with experimental results…