211 citations · 1.3k across the 15 of their papers we have counts for
15 papers
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…
Multi-ultraflatbands tunability and effect of spin-orbit coupling in twisted bilayer transition metal dichalcogenides
Zhen Zhan, Yipei Zhang, Pengfei Lv +5
Ultraflatbands that have been theoretically and experimentally detected in a bunch of van der Waals stacked materials showing some peculiar properties, for instance, highly localiz…
Tunable magneto-optical properties of single-layer tin diselenide: From GW approximation to large-scale tight-binding calculations
Hongxia Zhong, Jin Yu, Kaixiang Huang +1
A parameterized tight-binding (TB) model based on the first-principles GW calculations is developed for single layer tin diselenide (SnSe) and used to study its electronic and…
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…
Monolayer Phosphorene-Metal Interfaces
Yuanyuan Pan, Yangyang Wang, Meng Ye +9
Recently, phosphorene electronic and optoelectronic prototype devices have been fabricated with various metal electrodes. We systematically explore for the first time the contact p…
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…
Interlayer Interactions in Anisotropic Atomically-thin Rhenium Diselenide
Huan Zhao, Jiangbin Wu, Hongxia Zhong +6
Recently, two-dimensional (2D) materials with strong in-plane anisotropic properties such as black phosphorus have demonstrated great potential for developing new devices that can…
Interfacial Properties of Monolayer and Bilayer MoS2 Contacts with Metals: Beyond the Energy Band Calculations
Hongxia Zhong, Zeyuan Ni, Yangyang Wang +8
Although many prototype devices based on two-dimensional (2D) MoS2 have been fabricated and wafer scale growth of 2D MoS2 has been realized, the fundamental nature of 2D MoS2-metal…
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…