Related papers: Density functional theory calculations and vibrati…
The development of new exchange-correlation functionals within density functional theory means that increasingly accurate information is accessible at moderate computational cost. Recently, a newly developed self-consistent hybrid…
The spin-nematic scenario proposed for the structural instability of iron-based superconductors is studied theoretically within a Ginzburg-Landau approach in epitaxial thin films. The transition temperature and the domains that appear due…
Electron spin resonance (ESR) spectroscopy in scanning tunneling microscopy (STM) has enabled probing the electronic structure of single magnetic atoms and molecules on surfaces with unprecedented energy resolution, as well as demonstrating…
We study the transfer of spectral weight in the photoemission and optical spectra of strongly correlated electron systems. Within the LISA, that becomes exact in the limit of large lattice coordination, we consider and compare two models of…
Diffusing-wave spectroscopy is a powerful technique which consists in measuring the temporal correlation function of the intensity of light multiply scattered by a medium. In this paper, we apply this technique to cold atoms under purely…
Monolayer transition metal dichalcogenides (TMDs) with strong spin-orbit coupling combined with broken inversion symmetry, leading to a coupling of spin and valley degrees of freedom, make these materials highly interesting for potential…
Spin-crossover compounds, which are characterized by magnetic ions showing low-spin and high-spin states at thermally accessible energies, are ubiquitous in nature. We here focus on the effect of an exchange interaction on the collective…
Spin-orbit coupling (SOC) is a fundamental interaction in solids which can induce a broad spectrum of unusual physical properties from topologically non-trivial insulating states to unconventional pairing in superconductors. In iron-based…
Solid-state electronic spins are extensively studied in quantum information science, as their large magnetic moments offer fast operations for computing and communication, and high sensitivity for sensing. However, electronic spins are more…
A tunable far-infrared laser sideband spectrometer was used to investigate a nitric oxide sample enriched in 18O between 0.99 and 4.75 THz. Regular, electric dipole transitions were recorded between 0.99 and 2.52 THz, while magnetic dipole…
Circular dichroism spectroscopy is known to provide important insights into the interplay of different degrees of freedom in quantum materials, and yet spectroscopic study of the optoelectronic responses of quantum materials to structured…
The three-dimensional ternary LiFeO2 compound presents various unusual essential properties. The main features are thoroughly explored by the density functional and many-body perturbation theory. The concise physical/chemical picture, the…
We derive analytical expressions to describe how light is frequency-shifted when interacting with ultrasound within scattering media, due to the modulation of the refractive index induced by the ultrasound pressure waves. The model is…
Magnetization dynamics in nanomagnets has attracted broad interest since it was predicted that a dc-current flowing through a thin magnetic layer can create spin-wave excitations. These excitations are due to spin-momentum transfer, a…
This work presents accurate {\it ab initio} investigations of various spectroscopic properties of a few Li-like ions in presence of a plasma environment within the Debye screening potential. The coupled-cluster theory in the relativistic…
To establish credibility for the use of the Slater determinant harmonic oscillator (SDHO) density in predicting root-mean-square proton and neutron radii for Be, B, C, N, O, and F isotopes [M. Imran et al., {\color{blue}Phys. Rev. C {\bf…
The broadening of lines by Stark effect is widely used for inferring electron density and temperature in plasmas. Stark-effect calculations often rely on atomic data (transition rates, energy levels,...) not always exhaustive and/or valid…
The excitation of the spin degrees of freedom of an adsorbed atom by tunneling electrons is computed using a strong coupling theory. The excitation process is shown to be a sudden switch between the initial state determined by the…
Single cobalt atoms on the (111) surfaces of noble metals were for a long time considered prototypical systems for the Kondo effect in scanning tunneling microscopy experiments. Yet, recent first-principle calculations suggest that the…
In the 1970s a new paradigm was introduced that interacting quenched systems, such as a spin-glass, have a phase transition in which long time memory of spatial patterns is realized without spatial correlations. The principal methods to…