Related papers: Anomalous interfacial temperature profile induced …
We present a robust reciprocal-space implementation of the temperature-dependent effective potential method. Our implementation can scale easily to large cell and long sampling time. It is interoperable with standard ab-initio molecular…
A new version of the invariant imbedding theory for the propagation of coupled waves in inhomogeneous media is applied to the mode conversion of high frequency electromagnetic waves into electrostatic modes in cold, magnetized and…
The Allen-Heine-Cardona theory allows us to calculate phonon-induced electron self-energies from first principles without resorting to the adiabatic approximation. However, this theory has not been able to account for the change of the…
Silicon is indispensable in semiconductor industry. Understanding its high-temperature thermodynamic properties is essential both for theory and applications. However, first-principle description of high-temperature thermodynamic properties…
Different classes of physical systems with sizeable electron-phonon coupling and lattice distortions present anomalous resistivity behaviors versus temperature. We study a molecular lattice Hamiltonian in which polaronic charge carriers…
The emergence of phonon frequency combs exemplifies a rare and intriguing phenomenon in quantum solids. Materials with distinctive phonon band structures are especially promising for hosting such states, as their vibrational dispersion…
We measured the temperature dependent infrared reflectivity spectra of MnF2 between 4 K and room temperature. We show that the phonon spectrum undergoes a strong renormalization at TN. The ab-initio calculation we performed on this compound…
Quantum Anomalous Hall (QAH) state in six quintuple layer Cr$_{0.1}$(Bi$_{0.2}$Sb$_{0.8}$)$_{1.9}$Te$_3$ thin films were studied through scanning tunneling spectroscopy (STS) and electrical transport measurements. While the surface state is…
We examine the degree to which observations of large-scale cosmic microwave background (CMB) polarization can shed light on the puzzling large-scale power modulation in maps of CMB anisotropy. We consider a phenomenological model in which…
High-harmonic generation in solids has emerged as a powerful probe of ultrafast electron dynamics and lattice motion, and recent theoretical work has suggested that thermally driven lattice fluctuations can act as an effective source of…
We investigate the intrinsic thermal Hall conductivity contributed by optical phonons in a cubic system. The discrete rotational symmetry of the system splits the degeneracy of transverse modes across most regions of wave-vector space,…
We investigate the harmonic and anharmonic contributions to the phonon spectrum of lead telluride, and perform a complete characterization of how the anharmonic effects dominate the phonons in PbTe as temperature increases. This effect is…
Strongly interacting electrons in a topologically non trivial band may form exotic phases of matter. An especially intriguing example of which is the fractional quantum anomalous Hall phase, recently discovered in twisted transition metal…
The measured frequencies and intensities of different first- and second- order Raman peaks of suspended graphene are used to show that optical phonons and different acoustic phonon polarizations are driven out of local equilibrium inside a…
We study the heat current J in a classical one-dimensional disordered chain with on-site pinning and with ends connected to stochastic thermal reservoirs at different temperatures. In the absence of anharmonicity all modes are localized and…
An effect we have termed the acousto-thermoelectric effect is theorized for temperature gradients driven by acoustic modulation. The effect produces a dynamic and spatially varying voltage. Adiabatic acoustic fluctuations in a solid cause…
As nanostructured devices become prevalent, interfaces often play an important role in thermal transport phenomena. However, interfacial thermal transport remains poorly understood due to complex physics across a wide range of length scales…
We compute the transient dynamics of phonons in contact with high energy "hot" charge carriers in 12 polar and non-polar semiconductors, using a first-principles Boltzmann transport framework. For most materials, we find that the decay in…
We test the asymmetry of the Cosmic Microwave Background anisotropy jointly in temperature and polarization. We study the hemispherical asymmetry, previously found only in the temperature field, with respect to the axis identified by Hansen…
Accurately modeling interfacial thermal transport in van der Waals heterostructures is challenging due to the limited availability of interlayer interaction potentials. We develop a pairwise interlayer potential for graphene/germanene van…