Related papers: Quantum Spin Hall Effect and Su-Schrieffer-Heeger …
Edge-functionalized Transition Metal dichalcogenide nanoribbons of the zigzag type (zTMDCNRs) are explored in terms of their spin transmission properties. Specifically, systems of the type 5-zWXYNR + nA (X, Y = S, Se; n = 0, 1, 2; A = H, B,…
Topology concepts have significantly deepened of our understanding in recent years of the electronic properties of one-dimensional (1D) nano structures such as the graphene nanoribbons. Controlling topological electronic properties of GNRs…
The Nitrogen-vacancy (NV) center in diamond plays important roles in emerging quantum technologies. Currently available methods to fabricate the NV center often involve complex processes such as N implantation. By contrast, in a…
The search for new quantum spin Hall (QSH) phase and effective manipulations of their edge states are very important for both fundamental sciences and practical applications. Here, we use first-principles calculations to study the…
In this work, we simulate the expected device performance and the scaling perspectives of Carbon nanotube Field Effect Transistors (CNT-FETs), with doped source and drain extensions. The simulations are based on the self-consistent solution…
An exact mapping of the tight-binding Hamiltonian for a graphene's nanoribbon under any armchair uniaxial strain into an effective one-dimensional system is presented. As an application, for a periodic modulation we have found a gap opening…
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…
We investigate a generalized multi-orbital tight-binding model on a triangular lattice, a system prevalent in a wide range of two-dimensional materials, and particularly relevant for simulating transition metal dichalcogenide monolayers. We…
The Su-Schrieffer-Heeger (SSH) model describes a one-dimensional $Z_{2}$ topological insulator, which has two topological distinct phases corresponding to two different dimerizations. When spin-orbit coupling is introduced into the SSH…
We investigate the transport properties of a two-dimensional Su-Schrieffer-Heeger (2D SSH) model in the quantum Hall regime using non-equilibrium Green's function formalism (NEGF). The device Hamiltonian, where the 2D SSH model serves as…
Our world is composed of various materials with different structures, where spin structures have been playing a pivotal role in spintronic devices of the contemporary information technology. Apart from conventional collinear spin materials…
We consider a two-dimensional generalization of the Su-Schrieffer-Heeger model which is known to possess a non-trivial topological band structure. For this model, which is characterized by a single parameter, the hopping ratio $0 \leq r\leq…
Orthorhombic CuMnAs has been proposed as an antiferromagnetic semimetal hosting nodal line and Dirac points around the Fermi level. We investigate relations between the topological bands and transport phenomena, i.e. spin Hall effect and…
We study the vanishing of the topological properties of a quantum spin Hall insulator induced by a deformation of the band structure that interpolates between the Dirac and the semi-Dirac limits of a tight-binding model on a honeycomb…
First-principles and semi-empirical tight binding calculations were performed to understand the adsorption of oxygen on the surface of two dimensional (2D) and zigzag stanene nano-ribbons. The intrinsic spin-orbit interaction is considered…
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a…
Recent experiments on triangular lattice organic Mott insulators have found evidence for a 2D spin liquid in proximity to the metal-insulator transition. A Gutzwiller wavefunction study of the triangular lattice Heisenberg model with…
We study the electronic structure of heterostructures formed by a graphene nanoribbon (GNR) and a transition metal dichalcogenides (TMD) monolayer using first-principles. We consider both semiconducting TMDs and metallic TMDs, and different…
An atomistic model based on the spin-restricted extended Huckel theory (EHT) is presented for simulating electronic structure and I-V characteristics of graphene devices. The model is applied to zigzag and armchair graphene nano-ribbons…
Using density functional theory, we predict half-metallicity in edge hydrogenated armchair boron nitride nanoribbons (ABNNRs). The predicted spin polarization is analyzed in detail by calculating electronic and magnetic properties of these…