相关论文: Enhancing Magnetic Coupling in MN4-Graphene via St…
The relationship between magnetism and superconductivity has been one of the most discussed topics in iron-based superconductors. Using the first-principles calculations, we have studied the electronic structure of 1144-type iron-based…
Magnetoelectric coupling between magnetic and electric dipoles is one of the cornerstones of modern physics towards developing the most energy-efficient magnetic data storage. Conventionally, magnetoelectric coupling is achieved in…
Two-dimensional transition metal dichalcogenides have attracted great attention recently. Motivated by a recent study of crystalline bulk VTe$_2$, we theoretically investigated the spin-charge-lattice interplay in monolayer VTe$_2$. To…
Graphene is a nonmagnetic semimetal and cannot be directly used as electronic or spintronic devices. We demonstrate that graphene quantum dots (GQDs) can exhibit strong edge magnetism and tunable energy gaps due to the presence of localized…
We demonstrate a 20-fold enhancement in the strength of the RKKY interlayer exchange in dilute-ferromagnet/normal-metal multilayers by incorporating ultrathin Fe layers at the interfaces. Additionally, the resulting increase in the…
Particular strain geometry in graphene could leads to a uniform pseudo-magnetic field of order 10T and might open up interesting applications in graphene nano-electronics. Through quantum transport calculations of realistic strained…
Mechanical failure of an ideal crystal is dictated either by an elastic instability or a soft-mode instability. We show that the ideal strength measurement of graphene based on nano-indentation experiments \cite{lee2008measurement,…
We present a systematic study of the Ruderman-Kittel-Kasuya-Yosida (RKKY) interaction in MnBi$_2$Te$_4$ films under both dark and illuminated conditions. In the dark, the intrinsic magnetism of MnBi$_2$Te$_4$ is shown to yield a stronger…
Strain engineering provides a powerful means to tune the properties of two-dimensional materials. Accordingly, numerous studies have investigated the effect of bi- and uniaxial strain. Yet, the strain fields in many systems such as…
The electronic properties of graphene decorated with Ni, Co, Cu and Zn adatoms is studied with the density functional theory approach. Within the analysis the spin-orbit interaction is taken into account. We focus on the case when the…
Using equilibrium and non-equilibrium molecular dynamic (MD) simulations, we found that engineering the strain on the graphene planes forming a channel can drastically change the interfacial friction of water transport through it. There is…
Graphene, due to its exceptional properties, is a promising material for nanotechnology applications. In this context, the ability to tune the properties of graphene-based materials and devices with the incorporation of defects and…
Two-dimensional (2D) graphene and graphene-related materials (GRMs) show great promise for future electronic devices. Nevertheless, GRMs result distinct properties under the influence of the substrate that serves as support through uneven…
The interplay of twist and strain in bilayer graphene enables the formation of moir\'e patterns and narrow bands that host correlated and topological phases. While magic-angle twisted bilayer graphene has been widely studied, strain…
There has been a massive growth in the study of transition metal dichalcogenides (TMDs) over the past decade, based upon their interesting and unusual electronic, optical and mechanical properties, such as tuneable and strain-dependent…
Among many remarkable qualities of graphene, its electronic properties attract particular interest due to a massless chiral character of charge carriers, which leads to such unusual phenomena as metallic conductivity in the limit of no…
Molecular adsorption at the surface of a 2D material poses numerous questions regarding the modification to the band structure and interfacial states, which of course deserve full attention. In line with this, first-principle density…
Understanding the sticking coefficient $\sigma$, i.e., the probability of an adatom sticking to a surface, is essential for controlling the stoichiometry during epitaxial film growth. However, $\sigma$ on monolayer graphene-covered surfaces…
he manifestation of intra-molecular strains in covalent systems is widely known to accelerate chemical reactions and open alternative reaction paths. This process is moderately understood for isolated molecules and uni-molecular processes.…
The mechanical integrity of composite materials depends primarily on the interface strength and the defect density of the reinforcement which is the provider of enhanced strength and stiffness. In the case of graphene/ polymer…