Related papers: Strong interlayer coupling in two-dimensional PbSe…
We investigated the thermoelectric properties of the 2D monolayer of WX2N4 using Density Functional Theory combined with Boltzmann Transport Equation. We obtained an outstanding thermoelectric figure of merit of 0.91 at 400K for p-type…
The thermoelectric properties of the three pyrite-type IIB-VIA2 dichalcogenides (ZnS2, CdS2 and CdSe2) are systematically investigated and compared with those of the prototype ZnSe2 in order to optimize their thermoelectric properties.…
Ever since the high thermal conductivity in cubic boron arsenide (c-BAs) was predicted theoretically by Lindsay et. al in 2013, countless studies have zeroed in on this particular material. Most recently, c-BAs has been confirmed…
In this paper we investigate the effect of strong electronic interactions on the thermoelectric properties of a simple generic system, consisting of a single correlated layer sandwiched between two metallic leads. Results will be given for…
A variety of fabrication methods for van der Waals heterostructures have been demonstrated; however, their wafer-scale deposition remains a challenge. Here we report few-layer van der Waals PtS2/PtSe2 heterojunction photodiodes fabricated…
IV-VI materials are some of the most efficient bulk thermoelectric materials due to their proximity to soft-mode phase transitions, which leads to low lattice thermal conductivity. It has been shown that the lattice thermal conductivity of…
We used density functional and many-body perturbation theory to calculate the quasiparticle band structures and electronic transport parameters of p-type SnSe both for the low-temperature Pnma and high-temperature Cmcm phases. The Pnma…
For an electron gas with delta-function attraction we investigate the crossover from weak- to strong-coupling supercoductivity in two and three dimensions. We derive analytic expressions for the stiffness of phase fluctuations and set up…
We investigate the electronic structure of FeTe(0.6)Se(0.4) employing high resolution photoemission spectroscopy and ab initio band structure calculations. Fe 2p core level and the valence band spectra exhibit signature of strong electron…
Recently fabricated InSe monolayers exhibit remarkable characteristics that indicate the potential of this material to host a number of many-body phenomena. Here, we consistently describe collective electronic effects in hole-doped InSe…
Systematic experimental and theoretical research on the role of microstructure and interface thermal resistance on the thermal conductivity of the PbTe-CoSb3 bulk polycrystalline composite is presented. In particular, the correlation…
Two-dimensional materials that exhibit spontaneous electric polarization are of notable interest for functional materials. However, despite many two-dimensional polar materials are predicted in theory, the number of experimentally confirmed…
The layered misfit cobaltate Ca$_3$Co$_4$O$_9$, also known as Ca$_2$CoO$_3$[CoO$_2$]$_{1.62}$, is a promising p-type thermoelectric oxide. Employing density functional theory, we study its electronic structure and determine, on the basis of…
Superconductivity in low-dimensional compounds has long attracted much interest. Here we report superconductivity in a low-dimensional ternary telluride Ta4Pd3Te16 in which the repeating layers contain edge-sharing octahedrally-coordinated…
Although SbSe2-based layered compounds have been predicted to be high-performance thermoelectric materials and topological materials, most of these compounds obtained experimentally have been insulators so far. Here, we present the effect…
A van der Waals (vdW) density functional was implemented in the mixed basis approach previously developed for studying two dimensional systems, in which the vdW interaction plays an important role. The basis functions here are taken to be…
Organic thermoelectric (TE) materials create a brand new perspective to search for high-efficiency TE materials, due to their small thermal conductivity. The overlap of pz orbitals, commonly existing in organic {\pi}-stacking…
Pb$_{0.77}$Sn$_{0.23}$Se is a novel alloy of two promising thermoelectric materials PbSe and SnSe that exhibits a temperature dependent band inversion below 300 K. Recent work has shown that this band inversion also coincides with a trivial…
Understanding the physical and chemical processes at the interface of metals and topological insulators is crucial for developing the next generation of topological quantum devices. Here we report the discovery of robust superconductivity…
We report a layered ternary selenide BaPt4Se6 featuring sesqui-selenide Pt2Se3 layers sandwiched by Ba atoms. The Pt2Se3 layers in this compound can be derived from the Dirac-semimetal PtSe2 phase with Se vacancies that form a honeycomb…