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Discontinuous changes of the lattice parameters at the Mott metal-insulator transition are detected by high-resolution dilatometry on deuterated crystals of the layered organic conductor $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Br. The…
We explore a novel coupling mechanism of electrons with the transverse optical (TO) phonon branch in a regime when the TO mode becomes highly anharmonic and drives the ferroelectric phase transition. We show that this anharmonicity, which…
We report on first investigation of the lattice dynamics in the novel superconducting material Na$\_{0.35}$CoO$\_2$$\cdot$1.3H$\_2$O and the non-hydrated parent compound Na$\_{0.7}$CoO$\_2$ by inelastic x-ray scattering. The measured phonon…
Raman spectroscopy experiments on single crystals of CuSb2O6 and CoSb2O6 quasi-one-dimensional antiferromagnets with trirutile crystal structure were performed, with a focus on the first material. The observed Raman-active phonon modes and…
Kitaev's honeycomb spin-liquid model and its proposed realization in materials such as $\alpha$-RuCl$_3$, Li$_2$IrO$_3$ and Na$_2$IrO$_3$ continue to present open questions about how the dynamics of a spin-liquid are modified in the…
We investigate the interplay between lattice symmetry, phonons, and magnetism in the quasi-one-dimensional ladder compound BaFe$_2$S$_3$ by combining polarized synchrotron infrared spectroscopy, hybrid-functional density functional theory…
We calculate the lattice thermal conductivity ($\kappa$) for cubic (zinc-blende) and hexagonal (wurtzite) phases for 8 semiconductors using $\textit{ab initio}$ calculations and solving the Phonon Boltzmann Transport Equation, explaining…
Traditionally, strong quantum anharmonic effects have been considered a characteristic of hydrogen-rich compounds. Here we propose that these effects also play a decisive role in boron-carbon clathrates. The stability and superconducting…
The dimer Mott insulator $\kappa$-(BEDT-TTF)$_2$Cu$_2$(CN)$_3$ exhibits unusual electrodynamic properties. Numerical investigations of the electronic ground state and the molecular and lattice vibrations reveal the importance of the…
The lower mantle of Earth, characterized by pressures of 24-127 GPa and temperatures of 1900-2600 K, is still inaccessible to direct observations. In this work, we investigate by first principles the stability, phase diagram, elastic…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with…
We show that finite angular momentum pairing chiral superconductors on the triangular lattice have point zeroes in the complex gap function. A topological quantum phase transition takes place through a nodal superconducting state at a…
Halide pervoskites are an important class of semiconducting materials which hold great promise for optoelectronic applications. In this work we investigate the relationship between vibrational anharmonicity and dynamic disorder in this…
The insulating ferrimagnet Cu2OSeO3 shows a rich variety of phases such as skyrmion lattice and helical magnetism controlled by interplay of different exchange interactions which can be tuned by external pressure. In this work we have…
In this work, we resolve conflicting experimental and theoretical findings related to the dynamical stability and superconducting properties of $Fm\overline{3}m$-LuH$_3$, which was recently suggested as the parent phase harboring…
The phase transition from a superfluid to a Mott insulator has been observed in a $^{23}$Na Bose-Einstein condensate. A dye laser detuned $\approx 5$nm red of the Na $3^2$S$ \to 3^2$P$_{1/2}$ transition was used to form the three…
In this work, we investigate the microscopic mechanisms of anharmonic lattice dynamics and thermal transport in lead-free halide double perovskite Cs2AgBiBr6 from first principles. We combine self-consistent phonon calculations with bubble…
We examine coherent phonons in a strongly driven sample of optimally-doped high temperature superconductor YBa$_2$Cu$_3$O$_{7-\delta}$. We observe a non-linear lattice response of the 4.5\,THz copper-oxygen vibrational mode at high…
We construct a lattice model for a cubic Kondo insulator consisting of one spin-degenerate $d$ and $f$ orbital at each lattice site. The odd-parity hybridization between the two orbitals permits us to obtain various trivial and topological…