相关论文: A First-principles approach to predict Seebeck coe…
Based on first-principles calculations, we study the origin of the large thermopower in Ni-doped LaRhO3 and Mg-doped CuRhO2. We calculate the band structure and construct the maximally localized Wannier functions from which a tight binding…
Investigation of Seebeck coefficient in ultra-wide bandgap materials presents a challenge in measurement, nevertheless, it is essential for understanding fundamental transport mechanisms involved in electrical and thermal conduction.…
The thermoelectric behaviour of quark-gluon plasma has been studied within the framework of an effective kinetic theory by adopting a quasiparticle model to incorporate the thermal medium effects. The thermoelectric response of the medium…
We show how temperature-induced disorder can be combined in a direct way with first-principles scattering theory to study diffusive transport in real materials. Excellent (good) agreement with experiment is found for the resistivity of Cu,…
We present a strategy for increasing thermoelectric performance by invoking ferroelectric distortion in a transition-metal oxide. By using an ab initio calculation approach with the Boltzmann transport equation, a large Seebeck coefficient…
We report detailed Seebeck coefficient, Hall resistivity as well as specific heat measurement on Ca$_3$Ir$_4$Sn$_{13}$ single crystals. The Seebeck coefficient exhibits a peak corresponding to the anomaly in resistivity at $T^*$, and the…
The bottleneck in modern thermoelectric power generation and cooling is the low energy conversion efficiency of thermoelectric materials. The detrimental effects of lattice phonons on performance can be mitigated, but achieving a high…
This work presents a comprehensive investigation of the thermoelectric properties of bulk hybrid perovskites with the general formula MAxCs1-xSnI3 (0 < x < 1). A series of bulk samples were synthesized and systematically characterized to…
LaOBiPbS$_3$ is a kind of pnictogen-dichalcogenide layered compounds, which have recently been experimentally investigated as thermoelectric materials owing to their low thermal conductivity and high controllability of constituent elements.…
We present a systematic first-principles study of the structural, elastic, electronic, optical and thermodynamics properties of the sulvanite compounds Cu3TMS4 (TM = V, Nb and Ta). The structural, elastic and electronic properties are in…
We calculate the charge and heat current associate with electrons, generated by a temperature gradient and chemical potential difference between two ends of a tubular nanowire of 30 nm radius in the presence of an external magnetic field…
We study the influence of inelastic electron-electron scattering on the temperature variation of the Seebeck coefficient in the normal phase of quasi-one-dimensional organic superconductors. The theory is based on the numerical solution of…
A half-Heusler material FeNb$_{0.8}$Ti$_{0.2}$Sb has been identified as a promising thermoelectric material due to its excellent thermoelectric performance at high temperatures. The origins of the efficient thermoelectric performance are…
The Seebeck coefficient and electrical conductivity are two critical quantities to optimize simultaneously in designing thermoelectric materials, and they are determined by the dynamics of carrier scattering. We uncover a new regime where…
Well-known Mott's formula links the thermoelectric power characterised by Seebeck coefficient to conductivity. We calculate analytically the thermoelectric current and Seebeck coefficient in one-dimensional systems and show that, while the…
Using single-crystal transistors, we have performed a systematic experimental study of electronic transport through oxidized copper/rubrene interfaces as a function of temperature and bias. We find that the measurements can be reproduced…
A method for the calculation of the temperature dependence of dielectric and piezoelectric responses, based on the use of a first-principles effective Hamiltonian, is described. Results are presented for the ferroelectric perovskite PbTiO3.…
Thermoelectric properties of the layered cobalt oxide system LixCoO2 were investigated in a wide range of Li composition, 0.98 >= x >= 0.35. Single-phase bulk samples of LixCoO2 were successfully obtained through electrochemical…
Thermoelectric materials are opening a promising pathway to address energy conversion issues governed by a competition between thermal and electronic transport. Improving the efficiency is a difficult task, a challenge that requires new…
Low band gap thermoelectric materials suffer from bipolar effects at high temperatures, with increased electronic thermal conductivity and reduced Seebeck coefficient, leading to reduced power factor and low ZT figure of merit. In this work…