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

The usually negligibly small thermoelectric effects in superconducting heterostructures can be boosted dramatically due to the simultaneous effect of spin splitting and spin filtering. Building on an idea of our earlier work [Phys. Rev.…

Measurements of magneto-thermopower (S(H, T)) of interfacial delta doped LaTiO$_3$/SrTiO$_3$ (LTO/STO) heterostructure by an iso-structural antiferromagnetic perovskite LaCrO$_3$ are reported. The thermoelectric power of the pure LTO/STO…

Combining effective Hamiltonian and direct $ab$ $initio$ computation, we obtain the phase diagram of SnTiO$_{3}$ with respect to epitaxial strain and temperature, demonstrating the complex features of the phase diagram and providing insight…

A comparative study of the electrical and optical properties has been done on 3d-doped TiO$_2$. Ti$_{1-x}$M$_x$O$_2$ (M= Sc, V, Cr, Mn, Fe, Co, Ni, Cu, Zn) powder and its corresponding pellets, with doping concentration $x= 0.05$. The…

We address the question of how the electrocaloric effect in epitaxial thin films of the prototypical ferroelectric BaTiO$_3$ is affected by the clamping to the substrate and by substrate-induced misfit strain. We use molecular dynamics…

Effect of biaxial tensile strains on optical functions and band edge transitions of ultra thin epitaxial films was studied using as an example a 13 nm thick SrTiO3 films deposited on KTaO3(100) single-crystal substrates. Optical functions…

Biaxial strain dependence of electronic structures and thermoelectric properties of monolayer $\mathrm{MoS_2}$, including compressive and tensile strain, are investigated by using local-density approximation (LDA) plus spin-orbit coupling…

Flexoelectricity, an electromechanical coupling between strain gradient and polarization, offers a promising dimension to enrich silicon-based devices. Although the flexoelectricity of silicon is known, some fundamental aspects remain…

We calculated the effects of spin-orbit interaction (SOI) on the energy bands, ballistic conductance and the electron-diffusion thermoelectric power of a nanowire by varying the temperature, electron density and width of the wire. The…

Applying external strain is an efficient way to manipulate the site preference of dopants in semiconductors, however, the validity of the previous continuum elastic model for the strain influence on the doping forma- tion energy is still…

Using advanced ab-initio calculations, we describe the formation and confinement of a two-dimensional electron gas in short-period ($\simeq$4 nm) Nb-doped SrTiO$_3$ superlattices as function of Nb doping. We predict complete two-dimensional…

We report the temperature dependence of the resistivity and thermoelectric power under hydrostatic pressure of the itinerant antiferromagnet BaFe2As2 and the electron-doped superconductor Ba(Fe0.9Co0.1)2As2. We observe a hole-like…

We examine the effects of strain and cation substitution on the superconducting phase of polar semiconductors near a ferroelectric quantum phase transition with a model that combines a strong coupling theory of superconductors with a…

Two-dimensional transition metal dichalcogenides show great potential as promising thermoelectric materials due to their lower dimensionality, the unique density of states and quantum confinement of carriers. The effect of mechanical strain…

We have investigated electron transport in Nb doped SrTiO$_3$ single crystals for two doping densities. We find that the resistivity and mobility are temperature dependent in both whereas the carrier concentration is almost temperature…

We use first-principles electronic structure methods to calculate the electronic thermoelectric properties (i.e. due to electronic transport only) of single-crystalline bulk $n$-type silicon-germanium alloys vs Ge composition, temperature,…

Using first-principles calculations we determine the role of compressive and tensile uniaxial and equibiaxial strain on the structural, electronic and magnetic properties of V$_2$O$_3$. We find that compressive strain increases the energy…

The effects of Ir doping on the thermoelectric properties of Pt1-xIrxSb2 (x = 0, 0.01, 0.03, and 0.1) with pyrite structure were studied. Measurements of electrical resistivity rho, Seebeck coefficient S, and thermal conductivity kappa were…

A particularly promising pathway to enhance the efficiency of thermoelectric materials lies in the use of resonant states, as suggested by experimentalists and theorists alike. In this paper, we go over the mechanisms used in the literature…

We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO$_3$, PbTiO$_3$, LiNbO$_3$, and BiFeO$_3$ using first principles calculations. We find that while the strain dependence of the…