相关论文: Ab initio study of the strain dependence of thermo…

High Seebeck coefficient by creating large density of state (DOS) around the Fermi level through either electronic structure modification or manipulating nanostructures, is commonly considered as a route to advanced thermoelectrics.…

Based on the concept of band bending at metal/semiconductor interfaces as an energy filter for electrons, we present a theory for the enhancement of the thermoelectric properties of semiconductor materials with metallic nanoinclusions. We…

Fast oxygen transport materials are necessary for a range of technologies, including efficient and cost-effective solid oxide fuel cells, gas separation membranes, oxygen sensors, chemical looping devices, and memristors. Strain is often…

In a recent paper [R. Soto-Garrido and E. Mu\~noz, J. Phys. Condens. Matter 30, 195302 (2018)], we studied the electronic transport properties in Weyl semimetals (WSMs) submitted to the combined effects of torsional mechanical strain and…

BiFeO$_{3}$ is multiferroic material with space group Pbnm exhibits coupling of both magnetic and electric orders under strain force. To analyze band gap Tauc plot extrapolation method is used $\&$ remarkably smaller than some reported…

We calculate the in-plane Seebeck coefficient of Sr$_2$RuO$_4$ within a framework combining electronic structure and dynamical mean-field theory. We show that its temperature-dependence is consistent with entropic considerations embodied in…

Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in thermal management applications. However, finding highly…

SrTiO$_3$ is an incipient ferroelectric on the verge of a polar instability, which is avoided at low temperatures by quantum fluctuations. Within this unusual quantum paraelectric phase, superconductivity persists despite extremely dilute…

Thermal transmission in a molecular transistor with fully spin-polarized electrodes subjected to a temperature gradient is considered. The problem has been solved by using density matrix method in perturbation approach over small tunneling…

We report a systematic study on the thermoelectric performance of spin Seebeck devices based on Fe3O4/Pt junction systems. We explore two types of device geometries: a spin Hall thermopile and spin Seebeck multilayer structures. The spin…

Strontium titanate is an incipient ferroelectric in which superconductivity emerges at exceptionally low doping levels. Remarkably, stabilizing the polar phase through strain or chemical substitution has been shown to significantly enhance…

The strain effect on electronic structure and thermoelectric properties of Higher Manganese Silicides (HMSs) Mn4Si7 was studied using Density Functional Theory (DFT) and through solving Boltzman Transport Equation (BTE). We found that the…

In weakly ferromagnetic materials, already small changes in the atomic configuration triggered by temperature or chemistry can alter the magnetic interactions responsible for the non-random atomic-spin orientation. Different magnetic…

The effective mass is one of the main factors for enlarging the Seebeck coefficient and electronic conductivity of SrTiO3-based thermoelectric materials [1,2]. The goal of this paper is to clarify, how superlattices can change the effective…

Next generation quantum technologies will need to rely on efficient transduction between electrical, optical, and mechanical quantum degrees of freedom to generate large-scale entanglement over large distances. The performance of such…

High-temperature thermopower is interpreted as entropy that a carrier carries. Owing to spin and orbital degrees of freedom, a transition metal perovskite exhibits large thermopower at high temperatures. In this paper, we revisit the…

Heavily doped semiconductors are by far the most studied class of materials for thermoelectric applications in the past several decades. They have Seebeck coefficient values which are 2-3 orders of magnitude higher than metals, making them…

Electrostriction is an important material property that characterizes how strain changes with the development of polarization inside a material. We show that \textit{ab initio }techniques developed in recent years can be exploited to…

This study examines the application of transition metal-doped SrTiO3 in photovoltaic technologies, such as photocatalysis. The core objective is to evaluate how different dopants influence the structural and electronic characteristics of…

We report the temperature-dependent complex dielectric function of pristine bulk SrTiO$_3$ between 4.2 and 300 K within the energy range of 0.6-6.5 eV determined by spectroscopic ellipsometry. Fundamental indirect and direct band-gap…