Related papers: Enhanced thermoelectricity by controlled local str…
Using first-principles pseudopotential method and Boltzmann transport theory, we give a comprehensive understanding of the electronic and phonon transport properties of thermoelectric material BiCuSeO. By choosing proper hybrid functional…
The photoacoustic method with piezoelectric detection for the simultaneous evaluation of the thermophysical properties is proposed. The approach is based on the settling of an additional heat sink for redistribution of heat fluxes deposited…
The optimization of secondary phase in thermoelectric(TE) materials can {helps in improvisation of material's efficiency}. Being a potential {contender} for lower temperature TE application, bismuth telluride(Bi$_2$Te$_3$) nanoparticles…
Low-dimensional electronic and glassy phononic transport are two important ingredients of highly-efficient thermoelectric material, from which two branches of the thermoelectric research emerge. One focuses on controlling electronic…
The reliable calculation of electronic structures and understanding of electrical properties depends on an accurate model of the crystal structure. Here, we have reinvestigated the crystal structure of the high-zT thermoelectric material…
Substitution of Sb in FeSb$_2$ by less than 0.5% of Te induces a transition from a correlated semiconductor to an unconventional metal with large effective charge carrier mass $m^*$. Spanning the entire range of the semiconductor-metal…
Fundamental electronic principles underlying all transition metal compounds are the symmetry and filling of the $d$-electron orbitals and the influence of this filling on structural configurations and responses. Here we use a sensitive…
The growing market for sensors, internet of things, and wearable devices is fueling the development of low-cost energy-harvesting materials and systems. Film based thermoelectric (TE) devices offer the ability to address the energy…
Electronic structures and optical excitations in Moebius conjugated polymers are studied theoretically. Periodic and Moebius boundary conditions are applied to the tight binding model of poly(para-phenylene), taking exciton effects into…
Transition-edge sensors (TESs) as microcalorimeters offer high resolving power, owning to their sharp response and low operating temperature. In the hard X-ray regime and above, the demand for high quantum-efficiency requires the use of…
Motivated by recent scanning tunneling microscopy experiments on surfaces of Bi$_{1-x}$Sb$_{x'}$\cite{yazdanistm,gomesstm} and Bi$_2$Te$_3$,\cite{kaptunikstm,xuestm} we theoretically study the electronic structure of a 3-dimensional (3D)…
Subwavelength periodic confinement can collectively and selectively enhance local light intensity and enable control over the photo-induced phase transformations at the nanometer scale. Standard nanofabrication process can result in…
Iron-based chalcogenides are complex superconducting systems in which orbitally-dependent electronic correlations play an important role. Here, using high-resolution angle-resolved photoemission spectroscopy, we investigate the effect of…
Local modes caused by defects play a significant role in the thermal transport properties of thermoelectrics. Of particular interest are charge-neutral defects that suppress thermal conductivity, without significantly reducing electrical…
The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the…
The electrical performance of two dimensional transitional metal dichalcogenides (TMDs) is strongly influenced by the amount of structural defects inside. In this work, we provide an optical spectroscopic characterization approach to…
The electronic structure of SrBi2Ta2O9 is investigated from first-principles, within the local density approximation, using the full-potential linearized augmented plane wave (LAPW) method. The results show that, besides the large…
We propose a novel probe technique capable of performing local low-temperature spectroscopy on a 2D electron system (2DES) in a semiconductor heterostructure. Motivated by predicted spatially-structured electron phases, the probe uses a…
Morphology of the interlayer van der Waals surface and differential tunneling conductance in p-Bi2-xSbxTe3-ySey solid solutions were studied by scanning tunneling microscopy and spectroscopy in dependence on compositions. Topological…
The thermoelectric properties of La-filled skutterudites are discussed from the point of view of their electronic structures. These are calculated from first principles within the local density approximation. The electronic structure is in…