33 citations · 72 across the 9 of their papers we have counts for
Showing cond-mat.mtrl-sciShow all
3 papers · 1 filter
cond-mat.mtrl-sci2024★ 1 cited
Million-atom heat transport simulations of polycrystalline graphene approaching first-principles accuracy enabled by neuroevolution potential on desktop GPUs
Xiaoye Zhou, Yuqi Liu, Benrui Tang +5
First-principles molecular dynamics simulations of heat transport in systems with large-scale structural features are challenging due to their high computational cost. Here, using…
cond-mat.mtrl-sci2017
Investigation of interface spacing, stability, band offsets and electronic properties on (001) SrHfO3/GaAs interface : First principles calculations
Li-Bin Shi, Xiao-Ming Xiu, Xu-Yang Liu +3
SrHfO3 is a potential dielectric material for metal-oxide-semiconductor (MOS) devices. SrHfO3/GaAs interface has attracted attention due to its unique properties. In this paper, th…
cond-mat.mtrl-sci2017★ 33 cited
First principles calculations of the interface properties of amorphous-Al2O3/MoS2 under non-strain and biaxial strain conditions
Li-Bin Shi, Ming-Biao Li, Xiao-Ming Xiu +5
Al2O3 is a potential dielectric material for metal-oxide-semiconductor (MOS) devices. Al2O3 films deposited on semiconductors usually exhibit amorphous due to lattice mismatch. Com…