First-Principles Investigation of Simultaneous Thermoelectric Power Generation and Active Cooling in a Bifunctional Semimetal ZrSeTe Janus Structure.

Traditional thermoelectric materials often face a trade-off between efficient power generation (high ZT) and cooling performance. Here, we explore the potential of achieving simultaneous thermoelectric power generation and cooling capability in the recently fabricated bulk ZrSeTe Janus structure using first-principles density functional theory (DFT). The layered ZrSeTe Janus structure exhibits a semimetal character with anisotropic transport properties along the in-plane and out-of-plane directions.

Optical transparency in 2D ferromagnetic WSe/1T-VSe/WSemultilayer with strain induced large anomalous Nernst conductivity.

Transparent two-dimensional (2D) magnetic materials may bring intriguing features and are indispensable for transparent electronics. However, it is rare to find both optical transparency and room-temperature ferromagnetism simultaneously in a single 2D material. Herein, we explore the possibility of both these features in 2D WSe/1T-VSe(1ML)/WSeand WSe/1T-VSe(2ML)/WSeheterostructures by taking one monolayer (1ML) and two monolayers (2ML) of 1T-VSeusing first-principles calculations.

Electric field-induced switching of anomalous Nernst conductivity in the 2D MoTe/VSe heterostructure.

Generation of a transverse electric current by a longitudinal charge or heat current is receiving extensive research efforts because of its potential applications in information-processing devices. Therefore, we investigated the electric field-dependent Curie temperature, anomalous Hall conductivity (AHC), and anomalous Nernst conductivity (ANC) of the 2H-MoTe/1T-VSe heterostructure. The MoTe/VSe heterostructure had a Curie temperature of 270 K and the Curie temperature was substantially increased to 355 K under an electric field.

High thermoelectric performance in two dimensional chalcogenides systems: GaSe and GaTe.

Among the group-III chalcogenides, the two-dimensional (2D) GaSe and GaTe materials have been synthesized, but recent theoretical studies have raised controversial results regarding their thermoelectric (TE) properties. Hereby, systematically investigated the temperature and carrier concentration dependent TE properties of 2D GaSe and GaTe. We found that the GaSe had an indirect band gap of 2.

Electric filed dependent valley polarization in 2D WSe/CrGeTe heterostructure.

Valleytronics in 2D transition metal dichalcogenides (TMDs) has received extensive interest as a promising field for information processing, storage, and logic operation applications. Here, we have investigated the electric field dependent valley polarization of 2D WSe/CrGeTe heterostructure. The WSe/CrGeTe system has an indirect band gap of 0.

Giant spin Seebeck effect in two-dimensional ferromagnetic CrI monolayer.

Spin Seebeck effect (SSE) is a key factor in the spin caloritronics field, and extensive studies have been performed for potential spin thermoelectric modulator device applications. However, the performance of spin current generation was not high enough, and this is due to the weak yield of the SSE. Despite the many studies for the SSE in bulk materials, no reports are available yet in the pure two-dimensional (2D) ferromagnetic material.

Anomalous in-plane lattice thermal conductivity in an atomically thin two-dimensional α-GeTe layer.

Low lattice thermal conductivity is one of the most important physical quantities for phononic device applications. Thus, we investigated the in-plane lattice thermal conductivity of mono- and bi-layer α-GeTe systems. The lattice thermal conductivity of the monolayer system along the zigzag direction was 0.

High Thermoelectric Performance in Hexagonal 2D PdTe Monolayer at Room Temperature.

Motivated by the recent fabrication of the hexagonal PdTe monolayer, we investigated the thermoelectric properties of the hexagonal and pentagonal PdTe structures using two approaches. The pentagonal monolayer has not been synthesized yet. The hexagonal layer had an indirect band gap of 0.