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

We study the Seebeck effect in the $\tau$-type organic conductors, $\tau$-(EDO-$S$,$S$-DMEDT-TTF)$_{2}$(AuBr$_{2}$)$_{1+y}$ and $\tau$-(P-$S$,$S$-DMEDT-TTF)$_{2}$(AuBr$_{2}$)$_{1+y}$, where EDO-$S$,$S$-DMEDT-TTF and P-$S$,$S$-DMEDT-TTF are…

Recent experiments in La$_{1-x}$Ba$_x$MnO$_3$ thin films by Zhang {\it et al.} {[Phys. Rev. B {\bf 64}, 184404 (2001)]} showed that the ferromagnetic Curie temperature $T_c$ is enhanced (reduced) by tensile (compressive) strain. The results…

In strontium titanate, the Froehlich electron - LO-phonon interaction dominates the electron response and can also provide superconductivity. Because of high LO-phonon frequencies in SrTiO3, the superconducting system is non-adiabatic. We…

Crystals and glasses differ by the amplitude and the temperature dependence of their thermal conductivity. However, there are crystals known to display glass-like thermal conductivity. Here, we show that EuTiO$_3$, a quantum paraelectric…

The mechanical characteristics of fibers (of various materials), as well as of fiber bundles, are of primary importance for the design and the mechanical behavior of textiles, or of fibrous and composite materials. These characteristics are…

The correlated couple of electrical and thermal property is the challenge to realize a substantial leap in thermoelectric materials.Synthesis of semiconductor and metal composites is a significant and versatile design strategy to optimize…

We study the in-plane anisotropy of the thermoelectric power and electrical resistivity on detwinned single crystals of isovalent substituted EuFe$_{2}$(As$_{1-x}$P$_{x}$)$_2$. Compared to the resistivity anisotropy the thermopower…

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…

The properties of quantum materials are commonly tuned using experimental variables such as pressure, magnetic field and doping. Here we explore a different approach: irreversible, plastic deformation of single crystals. We show for the…

Recent experimental investigations have demonstrated that doping a semiconductor is a route to increase the thermal boundary conductance at metal/semiconductor interfaces. In this work, the influence of the electrical properties on heat…

Using a first-principles approach based on density-functional theory, we find that a large tetragonal strain can be induced in PbTiO3 by application of a negative hydrostatic pressure. The structural parameters and the dielectric and…

By using first-principles methods based on density functional theory we revisited the zero-temperature phase diagram of stoichiometric SrCoO3, a ferromagnetic metallic perovskite that undergoes significant structural, electronic, and…

We study the effects of temperature on the band structure of the Bi$_2$Se$_3$ family of topological insulators using first-principles methods. Increasing temperature drives these materials towards the normal state, with similar…

We report first-principles density-functional pseudopotential calculations on the atomic structures, electronic properties, and band offsets of BaO/BaTiO$_3$ and SrO/SrTiO$_3$ nanosized heterojunctions grown on top of a silicon substrate.…

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…

We report the influence on the superconducting critical temperature $T_c$ in doped SrTiO$_3$ of the substitution of the natural $^{16}$O atoms by the heavier isotope $^{18}$O. We observe that for a wide range of doping this substitution…

Epitaxial strain offers an effective route to tune the physical parameters in transition metal oxides. So far, most studies have focused on the effects of strain on the bandwidths and crystal field splitting, but recent experimental and…

Thickness dependence and strain effects in films of $La_{1-x}A_xMnO_3$ perovskites are analyzed in the colossal magnetoresistance regime. The calculations are based on a generalization of a variational approach previously proposed for the…

Electron-doped strontium titanate $\rm{SrTiO_3}$, known to be one of the most dilute superconductors, is investigated on the basis of the first-principles calculations. When the carrier density n decreases, the frequencies of the…

The structural, magnetic, and electronic properties of (STO)$_4$/(YTO)$_2$ superlattice consisting of Mott insulator YTiO$_3$ (YTO) and band insulator SrTiO$_3$ (STO) under strain are investigated by the density-functional-theory plus…