Related papers: Strain-induced thermoelectricity in pentacene
We find that introducing segmented isotopic disorder patterns may considerably reduce the thermal conductivity of pristine carbon nanotubes below the uncorrelated disorder value. This is a result of the interplay between different length…
We present a robust algorithm for the computation of electromagnetic fields radiated by point sources (Hertzian dipoles) in cylindrically stratified media where each layer may exhibit material properties (permittivity, permeability, and…
Strain gradients, ubiquitous in flexible devices and epitaxial nanostructures, are a major blind spot for thermal transport in \b{eta}-Ga2O3. We establish that strain gradient unlocks a thermal conductivity (k) suppression mechanism…
Intentional breaking of the lattice symmetry in solids is a key concept to alter the properties of materials by modifying their electronic band structure. However, the correlation of strain-induced effects and breaking of the lattice…
Strain engineering is critical to the performance enhancement of electronic and thermoelectric devices because of its influence on the material thermal conductivity. However, current experiments cannot probe the detailed physics of the…
We study thermoelectric properties of the system composed of a monoatomic chain on a surface and additional electrode coupled to the chain, which can be an STM tip. In particular, we are interested in thermopower, electric and thermal…
Uniaxial strain has been widely used as a powerful tool for investigating and controlling the properties of quantum materials. However, existing strain techniques have so far mostly been limited to use with bulk crystals. Although recent…
The theories of flexoelectricity and that of nonlocal elasticity are closely related, and are often considered together when modeling strain-gradient effects in solids. Here I show, based on a first-principles lattice-dynamical analysis,…
We theoretically investigate the thermoelectric properties of a spin-polarized two-dimensional electron gas hosting a Kondo adatom hybridized with an STM tip. Such a setup is treated within the single-impurity Anderson model in combination…
Upon application of a uniform strain, internal sub-lattice shifts within the unit cell of a non-centrosymmetric dielectric crystal result in the appearance of a net dipole moment: a phenomenon well known as piezoelectricity. A macroscopic…
Conventional methods to calculate the thermodynamics of crystals evaluate the harmonic phonon spectra and therefore do not work in frequent and important situations where the crystal structure is unstable in the harmonic approximation, such…
The traditional atomistic Green's function (AGF) was formulated in the harmonic regime, preventing it from capturing the role of anharmonicity in interfacial thermal transport. Incorporating anharmonicity into AGF has long been desired but…
In this work, we explore the possibility of enhancing a spin current under a thermal switch, i.e., connecting the central transport region to two leads in individual thermal equilibrium abruptly. Using the nonequilibrium Green's function…
Graphene has been widely studied for various applications due to its outstanding electrical and mechanical properties. However, its potential in thermoelectric applications has been limited by a low Seebeck coefficient and high thermal…
We use first principles density functional theory calculations to investigate the effect of biaxial strain in the low-temperature structural and ferroelectric properties of [111]-oriented SrTiO$_3$. We find that [111] biaxial strain,…
Most recently, a brand new phosphorus allotrope called green phosphorus has been predicted, which has a direct band gap up to 2.4 eV, and its single-layer form termed green phosphorene shows high stability. Here the mechanical properties…
The negative differential thermal conductance (NDTC) provides the key mechanism for realizing thermal transistors. This exotic effect has been the object of an extensive theoretical investigation, but the implementation is still limited to…
We propose a mechanism for nanoscale energy conversion, an electric voltage induced by a temperature gradient in a junction composed of the same material having exactly the same geometric sizes, but distinct shapes. The proposed effect…
We present first-principles calculations of electronic properties of graphene under uniaxial and isotropic strains, respectively. The semi-metallic nature is shown to persist up to a very large uniaxial strain of 30% except a very narrow…
Access to magnetic excitation spectra of single atoms deposited on surfaces is nowadays possible by means of low-temperature inelastic scanning tunneling spectroscopy. We present a first-principles method for the calculation of inelastic…