相关论文: On the Best Bandstructure for Thermoelectric Perfo…

In this first-principles study, we investigated the thermoelectric properties of the full-Heusler compound CsK$_2$Sb at different compressive strains. This material exhibits a valence band structure with significant effective mass…

The large variety of complex electronic structure materials and their alloys, offer highly promising directions for improvements in thermoelectric (TE) power factors (PF). Their electronic structure contains rich features, referred to as…

Thermoelectrics are promising to address energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the thermal conductivity but less by maximizing the power factor.…

High thermoelectric properties are associated with the phonon-glass electron-crystal paradigm. Conventional wisdom suggests that the optimal bandgap of semiconductor to achieve the largest power factor should be between 6 and 10 kbT. To…

Thermoelectrics (TE) materials manifest themselves in direct conversion of temperature differences to electric power and vice versa. Despite remarkable advances have been achieved in the past decades for various TE systems, the energy…

Based on the concept of band bending at metal/semiconductor interfaces as an energy filter for electrons, we present a theory for the enhancement of the thermoelectric properties of semiconductor materials with metallic nanoinclusions. We…

Thermoelectric (TE) conversion in conducting materials is of eminent importance for providing renewable energy and solid-state cooling. Although traditionally, the Seebeck effect plays a key role for the TE figure of merit zST, it…

Thermoelectric power (TEP) is measured in bilayer graphene for various temperatures and charge-carrier densities. At low temperatures, measured TEP well follows the semiclassical Mott formula with a hyperbolic dispersion relation. TEP for a…

We performed the first-principles calculation on common thermoelectric semiconductors $\rm Bi_2Te_3$, $\rm Bi_2Se_3$, $\rm SiGe$, and $\rm PbTe$ in bulk three-dimension (3D) and two-dimension (2D). We found that miniaturization of materials…

We investigate the thermoelectric performance of 2D nanojunctions with gate tunable architectures and varying channel lengths from 3 to 12 nm using a combination of first principles simulations, including density functional theory, DFT with…

Thermoelectric (TE) generators can directly convert heat into electricity, but their performance is often constrained by limited temperature gradients. Here it is shown that width-modulated metamaterials with constrictions and expansions…

Materials with linear electronic dispersion often feature high carrier mobilities and unusually strong nonlinear optical interactions. In this work, we investigate the THz nonlinear dynamics of one such material, HgCdTe, with an electronic…

Spintronic terahertz emitters (STEs) generate broadband terahertz (THz) radiation, which is essential for spectroscopy, imaging, and communication. The performances and the essential physical parameters of STE devices are linked to the…

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…

High Seebeck coefficient by creating large density of state (DOS) around the Fermi level through either electronic structure modification or manipulating nanostructures, is commonly considered as a route to advanced thermoelectrics.…

Using first-principles method and Boltzmann theory, we provide an accurate prediction of the electronic band structure and thermoelectric transport properties of alpha-MgAgSb. Our calculations demonstrate that only when an appropriate…

Electronic and thermoelectric transport in zigzag monolayer WSe$_2$ nanoribbons are studied under monochromatic irradiation. The electronic structure is described within a six-orbital tight-binding framework constructed from the relevant…

Materials with reduced dimensionality offer beneficial density-of-states (DOS) profiles for thermoelectric energy conversion, but can be impractical in realistic devices. Encouragingly, bulk high-symmetry materials can also exhibit similar…

We report first principles LDA calculations of the electronic structure and thermoelectric properties of $\beta $-Zn$_{4}$Sb$_{3}$. The material is found to be a low carrier density metal with a complex Fermi surface topology and…

We discuss the ultrafast evolution of the surface electronic structure of the topological insulator Bi$_2$Te$_3$ following a femtosecond laser excitation. Using time and angle resolved photoelectron spectroscopy, we provide a direct…