相关论文: Impact of Ferroelectric Distortion on Thermopower …
The effect of Sr doping in BaTiO3 (BTO) with nominal compositions Ba0.80Sr0.20TiO3 (BSTO) have been explored in its structural, lattice vibration, dielectric, ferroelectric and electrocaloric properties. The temperature dependent dielectric…
The effects of ferroic distortion and biaxial strain on the band gap and band edges of SrTiO$_{3}$ (STO) are calculated using density functional theory and many-body perturbation theory. Anisotropic strains are shown to reduce the gap by…
Thermoelectric effects in magnetic nanostructures and the so-called spin caloritronics are attracting much interest. Indeed it provides a new way to control and manipulate spin currents which are key elements of spin-based electronics. Here…
Ferroelectric polar displacements have recently been observed in conducting electron-doped BaTiO3. The co-existence of a ferroelectric phase and conductivity opens the door to new functionalities which may provide a unique route for novel…
We investigated the electrical conductivity, thermal conductivity and thermopower as a function of Nb content (x) in Ba0.7Eu0.3Ti1-xNbxO3 (x = 0.001- 0.10) in the temperature range T = 400-2 K. The substitution of Nb destabilizes the…
We study the thermoelectric effect of two-dimensional metals on a square lattice within semiclassical Boltzmann transport theory with particular focus on electron-electron scattering. We compute the electrical conductivity and the Seebeck…
We developed a theory of electric and thermoelectric conductivity of lightly doped SrTiO$_3$ in the non-degenerate region $k_B T \geq E_F$, assuming that the major source of electron scattering is their interaction with soft transverse…
A theory to describe the dielectric anomalies and the ferroelectric phase transition induced by oxygen isotope replacement in SrTiO$_3$ is developed. The proposed model gives consistent explanation between apparently contradictory…
The stability, electronic structure, optical and thermoelectric properties of Te-doped BaTiO3 are investigated by first-principal calculation based on the density functional theory and Boltzmann transport theory implemented in WIEN2K and…
We present systematic theoretical results on thermoelectric effects in semimetals based on the variational method of the linearized Boltzmann equation. Inelastic electron-hole scattering is known to play an important role in the unusual…
Thermoelectric effects have attracted wide attention in recent years from physicists and engineers. In this work, we explore the selfsimilar patterns in the thermoelectric effects of monolayer graphene based structures, by using the quantum…
The addition of porosity to thermoelectric materials can significantly increase the figure of merit, ZT, by reducing the thermal conductivity. Unfortunately, porosity is also detrimental to the thermoelectric power factor in the numerator…
Thermoelectric effects, measured by the Seebeck coefficients, refer to the phenomena in which a temperature difference or gradient imposed across a thermoelectric material induces an electrical potential difference or gradient, and vice…
We explore the interplay between ferroelectricity and metallicity, which are generally considered to be contra-indicated properties, in the prototypical ferroelectric barium titanate, BaTiO$_3$. Using first-principles density functional…
Understanding ferroelectricity is of both fundamental and technological importance to further stimulate the development of new materials designs and manipulations. Here, we perform an in-depth first-principle study on the well-known…
The normal ferroelectric to paraelectric phase transition in model ferroelectric materials such as BaTiO3 is typically characterized by a sharp, well-defined dielectric constant peak at a specific transition temperature. However, under…
PbTiO$_3$ is a ferroelectric perovskite semiconductor with favourable electronic and optical properties, making it suitable for a wide range of applications, including photo-catalysis and (opto)electronic devices. Despite its relevance, an…
First principle calculations are performed to investigate the effect of polar order strength on the thermoelectric (TE) properties of GeTe alloy in its rhombohedral structure. The variation in the polarization state using various…
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…
Low dimensional structures have demonstrated improved thermoelectric (TE) performance because of a drastic reduction in their thermal conductivity, {\kappa}l. This has been observed for a variety of materials, even for traditionally poor…