相关论文: Lattice dynamics of altermagnetic ruthenium oxide …
By means of first-principles calculations, various properties of SrRuO3 are investigated, focusing on its lattice dynamical properties. Despite having a Goldschmidt tolerance factor very close to 1, the phonon dispersion curves of the…
Ruthenium oxide with the rutile structure is one of example of altermagnets. These systems are characterized by compensated magnetic moments (typical for antiferromagnets) and strong time reversal symmetry breaking (typical for…
In this study, we present a comprehensive analysis of the Raman active phonon modes in orthorhombic LaInO$_3$ based on a combination of polarization-angle resolved Raman spectroscopy and density functional theory calculations. By using…
The magnetic structure of RuO2 and the Ru atomic configuration are unknown. A magnetic structure is inferred by confronting measured and calculated Bragg diffraction patterns and adjusting the latter to achieve satisfactory agreement. An…
The lattice dynamics in Sr$_2$RuO$_4$ has been studied by inelastic neutron scattering combined with shell-model calculations. The in-plane bond-stretching modes in Sr$_2$RuO$_4$ exhibit a normal dispersion in contrast to all electronically…
We report a comprehensive investigation of the lattice dynamics of URu$_2$Si$_2$ as a function of temperature using Raman scattering, optical conductivity and inelastic neutron scattering measurements as well as theoretical {\it ab initio}…
Bulk rutile RuO$_2$ has long been considered a Pauli paramagnet. Here we report that RuO$_2$ exhibits a hitherto undetected lattice distortion below approximately 900 K. The distortion is accompanied by antiferromagnetic order up to at…
Rutile-type RuO2 likely supports a simple antiferromagnetic structure which can be verified by x-ray Bragg diffraction. Three magnetic motifs that do not break translation symmetry are explored in calculations of amplitudes suitable for…
The lattice dynamics of TiO$_2$ in the rutile crystal structure was studied by a combination of thermal diffuse scattering, inelastic x-ray scattering and density functional perturbation theory. We experimentally confirm the existence of an…
Creating a heterostructure by combining two magnetically and structurally distinct ruthenium oxides is a crucial approach for investigating their emergent magnetic states and interactions. Previously, research has predominantly concentrated…
Rutile RuO$_2$ has attracted great interest recently, as its magnetic ground state remains controversial. Experimental studies have reported either nonmagnetic or altermagnetic (AM) ground states in different crystalline samples of RuO$_2$,…
We present a Raman scattering study of Ca$_2$RuO$_4$, in which we investigate the temperature-dependence of the lattice dynamics and the electron-phonon interaction below the metal-insulator transition temperature ({\it T}$_{\rm MI}$).…
The THz spectrum of density fluctuations, $S(Q, \omega)$, of vitreous GeO$_2$ at ambient temperature was measured by inelastic x-ray scattering from ambient pressure up to pressures well beyond that of the known $\alpha$-quartz to rutile…
Ab initio calculations and a direct method are applied to derive the phonon dispersion relations and phonon density of states for the ZrC crystal. The results are in good agreement with neutron scattering data. The force constants are…
Although the rutile structure of TiO$_2$ is stable at high temperatures, the conventional quasiharmonic approximation predicts that several acoustic phonons decrease anomalously to zero frequency with thermal expansion, incorrectly…
Recently discovered magnetic topological insulators $T$Bi$_{2}$Te$_{4}$ ($T=$Mn, Fe) crystallize into the $R\bar{3}m$ rhombohedral structure and exhibit the antiferromagnetic order. Here, we discuss the lattice dynamics of these compounds…
LaMn$_7$O$_{12}$, a quadruple perovskite oxide (AA'$_3$B$_4$O$_{12}$-type), has attracted attention for its notable bifunctional activity in oxygen evolution and reduction reactions. Here, we systematically investigate the magnetic phase…
Rutile RuO$_2$ has been posited as a potential $d$-wave altermagnetism candidate, with a predicted significant spin splitting up to 1.4 eV. Despite accumulating theoretical predictions and transport measurements, direct spectroscopic…
The polarized Raman spectra of layered ruthenates of the Srn+1RunO3n+1 (n=1,2,3) Ruddlesden-Popper series were measured between 10 and 300 K. The phonon spectra of Sr3Ru2O7 and Sr4Ru3O10 confirmed earlier reports for correlated rotations of…
We calculate the lattice dielectric function of strongly anharmonic rutile $\mathrm{TiO}_2$ from ab initio anharmonic lattice dynamics methods. Since an accurate calculation of the $\Gamma$ point phonons is essential for determining optical…