Related papers: Ab initio optimization of phonon drag effect for l…
Organic molecular materials are potential high-performance thermoelectric materials. Theoretical understanding of thermoelectric conversion in organic materials is essential for rational molecular design for efficient energy conversion…
The capacity to electrically detect phonons, ultimately at the single-phonon limit, is a key requirement for many schemes for phonon-based quantum computing, so-called quantum phononics. Here, we predict that by exploiting the strong…
The Seebeck coefficient is an important quantity in determining the thermoelectric efficiency of a material. Phosphorene is a two-dimensional material with a puckered structure, which makes its properties anisotropic. In this work, a…
We study the effects of Kohn anomalies on the superconducting properties in electron- and hole-doped cases of monolayer blue phosphorene, considering both adiabatic and non-adiabatic phonon dispersions using first-principles calculations.…
The temperature and pressure dependence of the partial density of phonon states of iron atoms in superconducting Fe1.01Se was studied by 57Fe nuclear inelastic scattering (NIS). The high energy resolution allows for a detailed observation…
There is a growing momentum in recent thermoelectric materials research for flexible materials which enhance power output and efficiency at human wearable temperatures. In our previous work, we established the method to improve…
Low-dimensional electronic and glassy phononic transport are two important ingredients of highly-efficient thermoelectric material, from which two branches of the thermoelectric research emerge. One focuses on controlling electronic…
The half-Heusler (hH) compounds are currently considered promising thermoelectric (TE) materials due to their favorable thermopower and electrical conductivity. Accurate estimates of these properties are therefore highly desirable and…
As a result of suppressed phonon conduction, large improvements of the thermoelectric figure of merit, ZT, have been recently reported for nanostructures compared to the raw materials' ZT values. It has also been suggested that low…
The nonlinear Seebeck effect, nonlinear conversion of a temperature gradient into an electric current, was observed at room temperature. Based on a second-harmonic lock-in method combined with an a.c. temperature gradient, $\nabla T$, we…
The usually negligibly small thermoelectric effects in superconducting heterostructures can be boosted dramatically due to the simultaneous effect of spin splitting and spin filtering. Building on an idea of our earlier work [Phys. Rev.…
We investigate the coupling of spin and thermal currents as a means to rise the thermoelectric efficiency of nanoscale graphene devices. We consider nanostructures composed of overlapping graphene nanoribbons with ferromagnetic contacts in…
Boundary-engineering in nanostructures has the potential to dramatically impact the development of materials for high-efficiency conversion of thermal energy directly into electricity. In particular, nanostructuring of semiconductors can…
Strain engineering is a very effective method to tune electronic, optical, topological and thermoelectric properties of materials. In this work, we systematically study biaxial strain dependence of electronic structures and thermoelectric…
It is suggested that low dimensionality can improve the thermoelectric (TE) power factor of a device, offering an enhancement of the ZT figure of merit. In this work the atomistic sp3d5s*-spin-orbit-coupled tight-binding model and the…
Despite the widespread use of silicon in modern technology, its peculiar thermal expansion is not well-understood. Adapting harmonic phonons to the specific volume at temperature, the quasiharmonic approximation, has become accepted for…
SrTiO$_3$, a quantum paralectric, displays a detectable phonon thermal Hall effect (THE). Here we show that the amplitude of THE is extremely sensitive to stoichiometry. It drastically decreases upon substitution of a tiny fraction of Sr…
Separating electron and phonon thermal conductivity components is imperative for understanding the principle thermal transport mechanisms in metals and highly desirable in many applications. In this work, we predict the mode-dependent…
At the ultra-thin film limit, quantum confinement strongly improves thermoelectric figure of merit in materials such as Sb$_2$Te$_3$ and Bi$_2$Te$_3$. These high quality films have only been realized using well controlled techniques such as…
In the ongoing search for innovative thermoelectric (TE) materials with superior TE performance globally, we aim to investigate the possible use of half-Heusler alloy CoHfSi in TE applications. We analyzed the structure stability,…