We predict planar Sb/Bi honeycomb to harbor a two-dimensional (2D) topological crystalline insulator (TCI) phase based on first-principles computations. Although buckled Sb and Bi honeycombs support 2D topological insulator (TI) phases, their structure becomes planar under tensile strain. The planar Sb/Bi honeycomb structure restores the mirror symmetry, and is shown to exhibit non-zero mirror ...

We have investigated the reconstruction, electronic and magnetic properties of graphene nanoribbons using density functional theory structure optimization and electronic structure calculations. In order to obtain proper edge states and their spin polarizations, we generate wide enough edge hydrogenated graphene nanoribbons that have not only mostly considered armchair and zigzag geometries both...

We proposed a scheme of armchair graphene nanoribbon (AGNR) based tunnel field-effect transistor (TFET). The simulated device consists two electrodes with zigzag termination that are separated by narrow gap. Fermi level is controlled common back gate. main idea on taking advantage the electronic effects smooth edge atoms and investigatinge effect applied small uniaxial tensile strain gate volta...

Gradient-corrected density functional theory (DFT) computations were performed to investigate the geometry, electronic property, formation energy, and reactivity of Stone-Wales (SW) defects in zigzag-edge and armchair-edge boron nitride nanoribbons (BNNRs). The formation energies of SW defects increase with an increase in the widths of BNNRs and are orientation-dependent. SW defects considerabl...

The unusual electronic and optical properties of armchair zigzag graphene nanoribbons (GNRs) subject to in-plane transverse electric perpendicular magnetic fields have been systematically investigated. Our calculations were carried out within the generalized multi-orbital tight-binding model based on a Hamiltonian which takes into account hopping integrals among (s, $p_x$, $p_y$, $p_z$) atomic ...

Electronic and optical properties of single-layer bilayer armchair graphene nanoribbons are investigated using a first-principles method. Increased nanoribbon width reduces the band gap causes red shift in photon absorption energy. The 3 n + 2 family has smallest gaps lowest onset energy among three families considered due to high π -conjugation indicated by exciton wavefunctions. We also compa...

Performance analysis of statistical samples of graphene nanoribbon tunneling transistors with line edge roughness" (2009). Birck and NCN Publications. Paper 392.

Germanene exhibits extremely high mobility, massless fermion behavior, and strong spin–orbit coupling drawing tremendous interest for high performance devices. It has a buckled two-dimensional structure, but not the intrinsic energy band gap and structural stability required for logic and switching devices. Application of a perpendicular electric field, surface adsorption, confinement of an arm...

The electronic transmission and conductance of Dirac electrons in an armchair graphene nanoribbon under external voltage are investigated with the transfer matrix method. We investigate velocity nanoribbons presence single multiple barriers show that coefficients can be modulated by varying order mode, number carbon atoms, barrier velocities. In particular, we find appears to fully transparent ...