相关论文: Phonon-lithium ion interactions: A case study of L…
Recently there has been paid much attention to phenomena caused by local anharmonic vibrations of the guest ions encapsulated in polyhedral cages of materials such as pyrochlore oxides, filled skutterdites and clathrates. We theoretically…
We report the direct observation of a "resonance" mode in the lowest-energy optic phonon very near the zone center around (111) in the multiferroic BiFeO$_3$ using neutron scattering methods. The phonon scattering intensity is enhanced when…
We present a lattice dynamics study of orthorhombic antimony sulphide (Sb2S3) obtained using density-functional calculations in conjunction with the supercell force-constant method. The effect of Born effective charges is taken into account…
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…
Using a microscopic model of lattice vibrations in the STO(001) substrate, an additional 50 mev longitudinal optical (LO) interface mode is identified. The soft mode propagating mainly in the first TiO2 layer ("O chains") has stronger…
Here we report on an elastic and inelastic neutron scattering study addressing the effect of electric fields on quantum paraelectric SrTiO3. Our elastic scattering results find small changes as a function of field in a superlattice…
The breakdown of Hooke's law marks the onset of nonlinear behaviour: when displacements become large, restoring forces weaken and conventional proportionality fails. In quantum materials, intense optical excitation can drive the crystal…
We recently proposed a high-pressure and high-temperature P-62m-symmetry polymorph for CaF2 on the basis of ab-initio random structure searching and density-functional theory calculations [Phys. Rev. B 95, 054118 (2017)]. We revisit this…
Muon spin spectroscopy ($\mu^+$SR) is now an established method to measure atomic scale diffusion coefficients of ions in oxides. This is achieved via the ion hopping rate, which causes periodic change in the local magnetic field at the…
The resonant coupling of phonons and magnons is important for the interconversion of phononic and spin degrees of freedom. We studied the phonon transmission in LiNbO3 manipulated by the dynamic magnetization in a Ni thin film. It was…
Electron-phonon interaction in copper oxide superconductors is still enigmatic. Strong coupling for certain optic phonons is now well established experimentally, but theoretical understanding is challenging. Scattering of electrons near the…
Accurately predicting carrier mobility in strongly anharmonic solids necessitates a precise characterization of lattice dyndamics as a function of temperature. We achieve consistency with experimental electron mobility data for bulk…
Identifying and understanding the mechanisms behind strong phonon-phonon scattering in condensed matter systems is critical to maximizing the efficiency of thermoelectric devices. To date, the leading method to address this has been to…
Ionic conductors have great potential for interesting tunable physical properties via ionic liquid gating and novel energy storage applications such as all-solid-state lithium batteries. In particular, low migration barriers and high…
Electronic and thermal transport properties in two-dimensional (2D) semiconductors have been extensively investigated due to their potential to miniaturize transistors. Microscopically, electron-phonon interactions are considered the…
Motivated by a search for experimental probes to access the physics of fractionalized excitations called spinons in a spin liquids, we study the interaction of spinons with lattice vibrations. We consider the case of algebraic spin liquid,…
Many crystalline solids possess strongly anharmonic soft phonon modes characterized by diminishing frequency as temperature approaches a critical point associated with a symmetry breaking phase transition. While electron-soft phonon…
Among hundreds of spinel oxides, LiTi2O4 (LTO) is the only one that exhibits superconductivity (Tc ~13 K). Although the general electron-phonon coupling is still the main mechanism for electron pairing in LTO, unconventional behaviors such…
A lamellar lepidocrocite-type titanate structure with ~25% $\text{Ti}^{4+}$vacancies was recently synthesized, and it showed potential for use as an electrode in rechargeable lithium-ion batteries. In addition to lithium, we explore this…
The lattice dynamics of FeSb2 is investigated by the first-principles DFT calculations and Raman spectroscopy. All Raman and infra-red active phonon modes are properly assigned. The calculated and measured phonon energies are in good…