122 citations · 328 across the 4 of their papers we have counts for
4 papers
Band gap and band alignment prediction of nitride based semiconductors using machine learning
Yang Huang, Changyou Yu, Weiguang Chen +5
Nitride has been drawing much attention due to its wide range of applications in optoelectronics and remains plenty of room for materials design and discovery. Here, a large set of…
Creation of Half-metallic f -orbital Dirac Fermion with Superlight Elements in Orbital-Designed Molecular Lattice
Bin Cui, Bing Huang, Chong Li +6
Magnetism in solids generally originates from the localized - or -orbitals that are hosted by heavy transition-metal elements. Here, we demonstrate a novel mechanism for desi…
Dilute magnetic semiconductor and half metal behaviors in 3d transition-metal doped black and blue phosphorenes: a first-principles study
Weiyang Yu, Zhili Zhu, Chun-Yao Niu +3
We present first-principles density-functional calculations for the structural, electronic, and magnetic properties of substitutional 3d transition metal (TM) impurities in two-dim…
Anomalous doping effect in black phosphorene from first-principles calculations
Weiyang Yu, Zhili Zhu, Chun-Yao Niu +3
Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phospho…