211 citations · 1k across the 14 of their papers we have counts for
14 papers
Finite temperature effects on the structural stability of Si-doped HfO using first-principles calculations
Yosuke Harashima, Hiroaki Koga, Zeyuan Ni +9
The structural stabilities of the monoclinic and tetragonal phases of Si-doped HfO at finite temperatures were analyzed using a computational scheme to assess the effects of…
Mechanically tunable spontaneous vertical charge redistribution in few-layer WTe2
Zeyuan Ni, Emi Minamitani, Kazuaki Kawahara +4
Broken symmetry is the essence of exotic properties in condensed matters. Tungsten ditelluride, WTe, exceptionally takes a non-centrosymmetric crystal structure in the family o…
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 Nanomesh
Feng Pan, Yangyang Wang, Kaili Jiang +8
Similar to graphene, zero band gap limits the application of silicene in nanoelectronics despite of its high carrier mobility. By using first-principles calculations, we reveal tha…
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…
All-Metallic Vertical Transistors Based on Stacked Dirac Materials
Yangyang Wang, Zeyuan Ni, Qihang Liu +7
It is a persisting pursuit to use metal as a channel material in a field effect transistor. All metallic transistor can be fabricated from pristine semimetallic Dirac materials (su…
Does the Dirac Cone Exist in Silicene on Metal Substrates?
Ruge Quhe, Yakun Yuan, Jiaxin Zheng +6
Absence of the Dirac cone due to a strong band hybridization is revealed to be a common feature for epitaxial silicene on metal substrates according to our first-principles calcula…
Tunable band gap in germanene by surface adsorption
Meng Ye, Ruge Quhe, Jiaxin Zheng +7
Opening a sizable band gap in the zero-gap germanene without heavy loss of carrier mobility is a key issue for its application in nanoelectronic devices such as high-performance fi…
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…
Strong Band Hybridization between Silicene and Ag(111)Substrate
Yakun Yuan, Ruge Quhe, Jiaxin Zheng +4
By using first-principles calculations, we systematically investigated several observed phases of silicene on Ag(111) substrates and their electronic structures. We find that the o…
Tunable band gap in few-layer graphene by surface adsorption
Ruge Quhe, Jianhua Ma, Zesheng Zeng +8
There is a tunable band gap in ABC-stacked few-layer graphene (FLG) via applying a vertical electric field, but the operation of FLG-based field effect transistor (FET) requires tw…
Half-Metallic Silicene and Germanene Nanoribbons: towards High-Performance Spintronics Device
Yangyang Wang, Jiaxin Zheng, Zeyuan Ni +7
By using first-principles calculations, we predict that an in-plane homogenous electrical field can induce half-metallicity in hydrogen-terminated zigzag silicene and germanene nan…
Interfacial Properties of Bilayer and Trilayer Graphene on Metal Substrates
Jiaxin Zheng, Yangyang Wang, Lu Wang +7
One popular approach to prepare graphene is to grow them on transition metal substrates via chemical vapor deposition. By using the density functional theory with dispersion correc…