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Engineering two-dimensional material heterostructures by combining the best of different materials in one ultimate unit can offer a plethora of opportunities in condensed matter physics. Here, in the van der Waals heterostructures of the…
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 stability. We systematically investigate theoretically the…
When Fe, which is a typical ferromagnet using d- or f-orbital states, is combined with 2D materials such as graphene, it offers many opportunities for spintronics. The origin of 2D magnetism is from magnetic insulating behaviors, which…
The link between changes in the material crystal structure and its mechanical, electronic, magnetic, and optical functionalities - known as the structure-property relationship - is the cornerstone of the contemporary materials science…
We propose a route to all-graphene integrated electronic devices by exploring the influence of strain on the electronic structure of graphene. We show that strain can be easily tailored to generate electron beam collimation, 1D channels,…
The competition between the Kondo screening and indirect magnetic exchange in systems with two magnetic impurities coupled to a conventional s-wave superconductor gives rise to a nontrivial ground-state phase diagram. Here, we utilize the…
Exploiting 2D materials for spintronic applications can potentially realize next-generation devices featuring low-power consumption and quantum operation capability. The magnetic exchange field (MEF) induced by an adjacent magnetic…
Strain engineering has quickly emerged as a viable option to modify the electronic, optical and magnetic properties of 2D materials. However, it remains challenging to arbitrarily control the strain. Here we show that by creating…
In the field of 2D materials, transition metal dichalcogenides (TMDs) are gaining attention for electronic applications. Our study delves into the H-phase monolayer VS$_2$ of the TMD family, analyzing its electronic structure and how strain…
Strain fields, dislocations and defects may be used to control electronic properties of graphene. By using advanced imaging techniques with high-resolution transmission electron microscopes, we have measured the strain and rotation fields…
Graphene (Gr), a well-known 2D material, has been under intensive investigation in the last decade due to its high potential applications in industry and advanced technological elements. The Gr, while composed with magnetic materials, has…
Graphene's outstanding mechanical properties lend to strain engineering, allowing for future valleytronics and nanoelectromechanic applications. In this work, we have found that a Gaussian-shaped strain on a graphene p-n junction results in…
We study RKKY interactions between local magnetic moments for both doped and undoped graphene. We find in both cases that the interactions are primarily ferromagnetic for moments on the same sublattice, and antiferromagnetic for moments on…
The transmission of the electron across the single normal metal-graphene (NG) and normal-metal-graphene-normal-metal (NGN) junctions has been investigated. For the single NG junction, the profile of the maximum transmission which has been…
The evolution of electronic structure of graphene nanoribbons (GNRs) as a function of the number of layers stacked together is investigated using \textit{ab initio} density functional theory (DFT) including interlayer van der Waals…
Strain is an effective method to tune the electronic properties of two-dimension (2D) materials, and can induce novel phase transition. Recently, 2D $\mathrm{MA_2Z_4}$ family materials are of interest because of their emerging topological,…
Density functional study of strain effects on the electronic band structure and transport prop- erties of the graphene nanoribbons (GNR) is presented. We apply a uniaxial strain in the x (nearest-neighbor) and y (second nearest-neighbor)…
Monolayer silicene is a front runner in the 2D-Xene family, which also comprises germanene, stanene, and phosphorene, to name a few, due to its compatibility with current silicon fabrication technology. Here, we investigate the utility of…
Atomically thin van der Waals materials provide a highly tunable platform for exploring emergent quantum phenomena in solid state systems. Due to their remarkable mechanical strength, one enticing tuning knob is strain. However, the weak…
The effect of Mn intercalation on the atomic, electronic and magnetic structure of the graphene/Cu(111) interface is studied using state-of-the-art density functional theory calculations. Different structural models of the…