相关论文: A first-principles study of structural, elastic, e…
Alkali-metal antimonides, especially cesium-potassium-antimonide (CsK2Sb), are strong candidates for next-generation photocathodes in linear accelerators due to their low work-function, fast response, high quantum yield, and ability to…
Boosted by the relentless increase of available computational resources, high-throughput calculations based on first principles methods have become a powerful tool to screen a huge range of materials. The backbone of these studies are…
We explore nonlinear photoemission in cesium telluride (Cs$_2$Te) photocathodes where an ultrashort ($\sim 100$ fs full width at half max) 800-nm infrared laser is used as the drive-laser in lieu of the typical $\sim 266$-nm ultraviolet…
For short, high-intensity electron bunches, alkali-tellurides have proved to be a reliable photo-cathode material. Measurements of lifetimes in an RF gun of the CLIC Test Facility II at field strengths greater than 100 MV/m are presented.…
Two-dimensional (2D) metallic systems with intrinsically low lattice thermal conductivity are rare, yet they are of great interest for next-generation energy and electronic technologies. Here, we present a comprehensive first-principles…
We investigate the structural, mechanical, and thermoelectric properties of lead-free double halide perovskites Cs2TeX6 (X = Cl, Br, I) using first-principles calculations and semiclassical Boltzmann transport theory. The HSE06 band gap is…
2H phase (trigonal prismatic D3h) of layered two-dimensional (2D) transition metal dichalcogenides (TMDs) have attracted a lot of interests due to the superior electronic and optoelectronic properties. However, flexible electronic devices…
Following a recently manifested guide of how to team up infrared transparency and high electrical conductivity within semimetal materials [C. Cui $et$ $al.$ Prog. Mater. Sci. 2023, 136, 101112], we evaluate an applicability of the calcium…
Graphene-like two-dimensional (2D) materials, not only are interesting for their exotic electronic structure and fundamental electronic transport or optical properties but also, hold promises for device miniaturization down to atomic…
Elemental tellurium (Te) is a compelling van der Waals material due to its interesting chiral crystal structure and predicted topological properties. Here, we report the fabrication and comprehensive quantum transport study of devices based…
We report low temperature scanning tunneling microscopy characterization of MoSe2 crystals, and the fabrication and electrical characterization of MoSe2 field-effect transistors on both SiO2 and parylene-C substrates. We find that the…
Atomically thin transitional metal ditellurides like WTe2 and MoTe2 have triggered tremendous research interests because of their intrinsic nontrivial band structure. They are also predicted to be 2D topological insulators and type-II Weyl…
DFT and AIMD are used to investigate the structural, stability, electronic, thermal, and optical properties of the quasi-2D C2N2O structure. The structure exhibits thermal and energy stability, signifying robustness under ambient…
In this study, we calculate the $T$=300 K scattering and thermoelectric transport properties of rhombohedral GeTe using first-principles modeling. The room-temperature phase of GeTe has a layered structure, with cross-plane and in-plane…
As a newly emergent type-II Dirac semimetal, Platinum Telluride (PtTe2) stands out from other 2D noble-transition-metal dichalcogenides for the unique structure and novel physical properties, such as high carrier mobility, strong…
In the present study, the structural, electronic, optical and thermoelectric properties of two isostructural chalcogenide materials, NaInS2 and NaInSe2 with hexagonal symmetry (R-3m) have been studied using the first principles method. A…
The ultimate limitations on carrier mobilities in metal dichalcogenides, and the dynamics associated with carrier relaxation, are unclear. We present measurements of the frequency-dependent conductivity of multilayer dichalcogenide MoS2 by…
Elpasolites are a large family of halides which have recently attracted considerable interest for their potential applications in room-temperature radiation detection. Cs2LiYCl6 is one of the most widely studied elpasolite scintillators. In…
Transition metal-based quaternary chalcogenides have gathered immense attention for various renewable energy applications including thermoelectrics (TE). While low-symmetry and complex structure help to achieve low thermal conductivity, the…
Transition-metal dichalcogenides (TMDCs) are important class of two-dimensional (2D) layered materials for electronic and optoelectronic applications, due to their ultimate body thickness, sizable and tunable bandgap, and decent theoretical…