Unveiling the Interlayer Interaction in a 1H/1T TaS2 van der Waals Heterostructure

CG Ayani, M Bosnar, F Calleja, AP Solé… - Nano Letters, 2024 - ACS Publications
This study delves into the intriguing properties of the 1H/1T-TaS2 van der Waals
heterostructure, focusing on the transparency of the 1H layer to the charge density wave of …

Toward direct band gaps in typical 2D transition-metal dichalcogenides junctions via real and energy spaces tuning

MY Tian, YM Gao, YJ Zhang, MX Ren, XH Lv… - Communications …, 2024 - nature.com
Most of the van der Waals homo-and hetero-junctions of group VIB two-dimensional (2D)
transition-metal dichalcogenides (TMDs; MoS2, WS2, MoSe2, and WSe2) show indirect …

Profiling Electronic and Phononic Band Structures of Semiconductors at Finite Temperatures: Methods and Applications

X Zhang, J Kang, SH Wei - Chinese Physics Letters, 2024 - iopscience.iop.org
Semiconductor devices are often operated at elevated temperatures that are well above
zero Kelvin, which is the temperature in most first-principles density functional calculations …

Effect of strain on structure and electronic properties of monolayer C4N4

H Chen, Y Xu, JS Zhao, D Zhou - Chinese Physics B, 2024 - iopscience.iop.org
The first-principles calculations are performed to examine structural, mechanical, and
electronic properties at large strain for a monolayer C 4 N 4, which has been predicted as an …