211 citations · 1.3k across the 15 of their papers we have counts for
10 papers · 1 filter
Quasiparticle band alignment and stacking-independent exciton in MAZ (M = Mo, W, Ti; A= Si, Ge; Z = N, P, As)
Hongxia Zhong, Guangyong Zhang, Cheng Lu +1
Motivated by the recently synthesized two-dimensional semiconducting MoSiN, we systematically investigate the quasiparticle band alignment and exciton in monolayer MAZ$…
Electronic properties and quasi-particle model of monolayer MoSiN
Zhenwei Wang, Xueheng Kuang, Guodong Yu +3
By a combined study with first-principles calculations and symmetry analysis, we theoretically investigate the electronic properties of monolayer MoSiN. While the spin-orbi…
Structure-Composition-Property Relationships in Antiperovskite Nitrides: Guiding a Rational Alloy Design
Hongxia Zhong, Chunbao Feng, Hai Wang +7
The alloy strategy through A- or X-site is a common method for experimental preparation of high-performance and stable lead-based perovskite solar cells. As one of the important ca…
Strain-induced semiconductor to metal transition in MA2Z4 bilayers
Hongxia Zhong, Wenqi Xiong, Pengfei Lv +2
Very recently, a new type of two-dimensional layered material MoSi2N4 has been fabricated, which is semiconducting with weak interlayer interaction, high strength, and excellent st…
Electronic and mechanical properties of few-layer borophene
Hongxia Zhong, Kaixiang Huang, Guodong Yu +1
We report first principle calculations of electronic and mechanical properties of few-layer borophene with the inclusion of interlayer van der Waals (vdW) interaction. The anisotro…
Quasiparticle Band Gaps, Excitonic Effects, and Anisotropic Optical Properties of Monolayer Distorted 1-T Diamond-chain Structures
Hong-Xia Zhong, Shiyuan Gao, Jun-Jie Shi +1
We report many-body perturbation theory calculations of excited-state properties of distorted 1-T diamond-chain monolayer rhenium disulfide (ReS2) and diselenide (ReSe2). Electroni…
Does P-type Ohmic Contact Exist in WSe2-metal Interfaces?
Yangyang Wang, Ruoxi Yang, Ruge Quhe +9
Formation of low-resistance metal contacts is the biggest challenge that masks the intrinsic exceptional electronic properties of 2D WSe2 devices. We present the first comparative…
Silicene on Substrates: A Theoretical Perspective
Hongxia Zhong, Ruge Quhe, Yangyang Wang +2
Silicene, as the silicon analog of graphene, has been successfully fabricated by epitaxial growing on various substrates. Similar to free-standing graphene, free-standing silicene…
Graphdiyne-metal contacts and graphdiyne transistors
Yuanyuan Pan, Yangyang Wang, Lu Wang +9
Graphdiyne is prepared on metal surface, and making devices out of it also inevitably involves contact with metals. Using density functional theory with dispersion correction, we s…
Tunable Band Gap and Doping Type in Silicene by Surface Adsorption: towards Tunneling Transistors
Zeyuan Ni, Hongxia Zhong, Xinhe Jiang +4
Structural and electronic properties of silicene adsorbed by five kinds of transition metal atoms (Cu, Ag, Au, Pt, and Ir) are systematically studied by using first-principles calc…