相关论文: Multiple phonon modes in Feynman path-integral var…
Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…
Layered systems shows anisotropic transport properties. The interlayer conductivity show a general temperature dependence for a wide class of materials. This can be understood if conduction occurs in two different channels activated at…
Significant progress on parameter-free calculations of carrier mobilities in real materials has been made during the past decade; however, the role of various approximations remains unclear and a unified methodology is lacking. Here, we…
We study thermal transport in a chain of coupled atoms, which can vibrate in longitudinal as well as transverse directions. The particles interact through anharmonic potentials upto cubic order. The problem is treated quantum mechanically.…
When a mobile hole is moving in an anti-ferromagnet it distorts the surrounding Neel order and forms a magnetic polaron. Such interplay between hole motion and anti-ferromagnetism is believed to be at the heart of high-Tc superconductivity…
We propose a nonequilibrium variational polaron transformation, based on an ansatz for nonequilibrium steady state (NESS) with an effective temperature, to study quantum heat transport at the nanoscale. By combining the variational polaron…
Cross-plane heat transport in thin films with thickness comparable to the phonon mean free paths is of both fundamental and practical interest. However, physical insight is difficult to obtain for the cross-plane geometry due to the…
We present a hybrid method based on a combination of quantum/classical molecular dynamics (MD) simulations and a mod el Hamiltonian approach to describe charge transport through bio-molecular wires with variable lengths in presence o f a…
Structural phase transitions and soft phonon modes pose a longstanding challenge to computing electron-phonon (e-ph) interactions in strongly anharmonic crystals. Here we develop a first-principles approach to compute e-ph scattering and…
We introduce a scalable, translationally invariant variational theory for ab initio polarons that remains applicable across coupling regimes without resorting to supercells. Our approach combines a momentum-projected Toyozawa-type…
The Fr\"ohlich model describes the interaction of a mobile impurity with a surrounding bath of phonons which leads to the formation of a quasiparticle, the polaron. In this article an efficient renormalization group approach is presented…
Predicting charge transport in organic molecular crystals is notoriously challenging. Carrier mobility calculations in organic semiconductors are dominated by quantum chemistry methods based on charge hopping, which are laborious and only…
The calculation of thermal conductivity in insulating solids at temperatures below the Debye temperature is problematic, due to the breakdown of classical and semi-classical approaches. In this work, we present a fully quantum methodology…
We theoretically consider the possibility that phonons may be playing a role in the observed linear-in-$T$ resistivity in cuprates by focusing on the obvious question: How can phonon scattering be consistent with a linear-in-$T$ resistivity…
We formulate a semiclassical theory for electron transport in open quantum systems with electron-phonon interactions adequate for situations when the system's phonon dynamics is comparable with the electron transport timescale. Starting…
We perform an extensive bootstrap study of Hermitian and non-Hermitian theories based on the novel analytic continuation of $\langle\phi^n\rangle$ or $\langle(i\phi)^n\rangle$ in $n$. We first use the quantum harmonic oscillator to…
The hydrodynamic phonon transport was studied several decades ago for verifying the quantum theory of lattice thermal transport. Recent prediction of significant hydrodynamic phonon transport in graphitic materials shows its practical…
Information over the phonon band structure is crucial to predicting many thermodynamic properties of materials, such as thermal transport coefficients. Highly accurate phonon dispersion curves can be, in principle, calculated in the…
Magnetothermal transport in various frustrated magnets exhibits striking field-dependent anomalies that deviate from conventional magnon or phonon transport. To understand such anomalies, we derive an effective spin-phonon Hamiltonian in…
We propose a natural, parameter-free, discrete-variable formulation of Feynman path integrals. We show that for discrete-variable quantum systems, Feynman path integrals take the form of walks on the graph whose weighted adjacency matrix is…