Electronic structure and layer-resolved transmission of bilayer graphene nanoribbon in the presence of vertical fields

Electronic properties of bilayer graphene are distinct from both the conventional two dimensional electron gas and monolayer graphene due to its particular chiral properties and excitation charge carrier dispersions. We study the effect of strain on the electronic structure, the edge-states and charge transport of bilayer graphene nanoribbon at zero-temperature. We demonstrate a valley polarized quantum Hall effect in biased bilayer graphene when the system is subjected to a perpendicular magnetic field. In this system a topological phase transition from a quantum valley Hall to a valley polarized quantum Hall phase can occur by tuning the interplanar strain. Furthermore, we study the layer-resolved transport properties by calculating the layer polarized quantity by using the recursive Green's function technique and show that the resulting layer polarized value confirms the obtained phases. These predictions can be verified by experiments and our results demonstrate the possibility for exploiting strained bilayer graphene in the presence of external fields for electronics and valleytronics devices.Comment: 10 pages, 9 figures, typos are correcte

Valley Zeeman effect and spin-valley polarized conductance in monolayer MoS2_2 in a perpendicular magnetic field

We study the effect of a perpendicular magnetic field on the electronic structure and charge transport of a monolayer MoS$_2$ nanoribbon at zero temperature. We particularly explore the induced valley Zeeman effect through the coupling between the magnetic field, $B$, and the orbital magnetic moment. We show that the effective two-band Hamiltonian provides a mismatch between the valley Zeeman coupling in the conduction and valence bands due to the effective mass asymmetry and it is proportional to $B^2$ similar to the diamagnetic shift of exciton binding energies. However, the dominant term which evolves with $B$ linearly, originates from the multi-orbital and multi-band structures of the system. Besides, we investigate the transport properties of the system by calculating the spin-valley resolved conductance and show that, in a low-hole doped case, the transport channels at the edge are chiral for one of the spin components. This leads to a localization of the non-chiral spin component in the presence of disorder and thus provides a spin-valley polarized transport induced by disorder.Comment: 12 pages, 7 figures, new references are adde

Electronic ground state properties of strained graphene

We consider the effect of the Coulomb interaction in strained graphene using tight-binding approximation together with the Hartree-Fock interactions. The many-body energy dispersion relation, anisotropic Fermi velocity renormalization and charge compressibility in the presence of uniaxial strain are calculated. We show that the quasiparticle quantities are sensitive to homogenous strain and indeed, to its sign. The charge compressibility is enhanced by stretching and suppressed by compressing a graphene sheet. We find a reduction of Fermi velocity renormalization along the direction of graphene deformation, in good agreement with the recent experimental observation.Comment: 19 pages, 6 figures. To appear in Phys. Rev.

Intrinsic optical conductivity of modified-Dirac fermion systems

We analytically calculate the intrinsic longitudinal and transverse optical conductivities of electronic systems which govern by a modified-Dirac fermion model Hamiltonian for materials beyond graphene such as monolayer MoS$_2$ and ultrathin film of the topological insulator. We analyze the effect of a topological term in the Hamiltonian on the optical conductivity and transmittance. We show that the optical response enhances in the non-trivial phase of the ultrathin film of the topological insulator and the optical Hall conductivity changes sign at transition from trivial to non-trivial phases which has significant consequences on a circular polarization and optical absorption of the system.Comment: 14 pages, 9 figures. To appear in Phys. Rev.

Indirect exchange interaction between magnetic adatoms in a monolayer MoS2

We study the Ruderman-Kittle-Kasuya-Yosida (RKKY) interaction in a monolayer MoS$_2$. We show that the rotation of the itinerant electron spin due to the spin-orbit coupling causes a twisted interaction between two magnetic adatoms which consists of different RKKY coupling terms, the Heisenberg, Dzyaloshinsky-Moriya and Ising interactions. We find that the interaction terms are very sensitive to the Fermi energy values and change dramatically from doped to undoped systems. A finite doping causes that all parts of the interaction oscillate with the distance of two magnetic impurities, $R$ and the interaction behaves like $R^{-2}$ for the long distance between two localized spins. We explore a beating pattern of oscillations of the RKKY interaction which occurs for the doped system.Comment: Published version. To appear in Phys. Rev.

Andreev reflection in monolayer MoS2

Andreev reflection in a monolayer molybdenum disulfide superconducting-normal (S/N) hybrid junction is investigated. We find, by using a modified-Dirac Hamiltonian and the scattering formalism, that the perfect Andreev reflection happens at normal incidence with $p$-doped S and N regions. The probability of the Andreev reflection and the resulting Andreev conductance, in this system, are demonstrated to be large in comparison with corresponding gapped graphene structure. We further investigate the effect of a topological term ($\beta)$ in the Hamiltonian and show that it results in an enhancement of the Andreev conductance with $p$-doped S and N regions, while in the corresponding structure with $n$-doped S region it is strongly reducible in comparison. This effect can be explained in terms of the dependence of the Andreev reflection probability on the sign of $\beta$ and the chemical potential in the superconducting region.Comment: 8 pages, 6 figures, accepted for publication in Phys. Rev.

Edge modes in zigzag and armchair ribbons of monolayer MoS2_2

We explore the electronic structure, orbital character and topological aspect of a monolayer MoS$_2$ nanoribbon using tight-binding (TB) and low-energy (${\bm k}\cdot{\bm p}$) models. We obtain a mid-gap edge mode in the zigzag ribbon of monolayer MoS$_2$, which can be traced back to the topological properties of the bulk band structure. Monolayer MoS$_2$ can be considered as a valley Hall insulator. The boundary conditions at armchair edges mix the valleys on the edges, and a gap is induced in the edge modes. The spin-orbit coupling in the valence band reduces the hybridization of the bulk states.Comment: 28 pages, 13 figures, Published:J. Phys.: Condens. Matter 28 (2016) 49500

Effective lattice Hamiltonian for monolayer MoS2 : Tailoring electronic structure with perpendicular electric and magnetic fields

We propose an effective lattice Hamiltonian for monolayer MoS$_2$ in order to describe the low-energy band structure and investigate the effect of perpendicular electric and magnetic fields on its electronic structure. We derive a tight-binding model based on the hybridization of the $d$ orbitals of molybdenum and $p$ orbitals of sulfur atoms and then introduce a modified two-band continuum model of monolayer MoS$_2$ by exploiting the quasi-degenerate partitioning method. Our theory proves that the low-energy excitations of the system are no longer massive Dirac fermions. It reveals a difference between electron and hole masses and provides trigonal warping effects. Furthermore, we predict a valley degeneracy breaking effect in the Landau levels. Besides, we also show that applying a gate voltage perpendicular to the monolayer modifies the electronic structure including the band gap and effective masses.Comment: 7 pages, 3 figures, To appear in PR

Charge compressibility and quantum magnetic phase transition in MoS2_2

We investigate the ground-state properties of monolayer MoS$_2$ incorporating the Coulomb interaction together with a short-range intervalley interaction between charged particles between two valleys within the Hartree-Fock approximation. We consider four variables as independent parameters, namely homogeneous charge (electron or hole) density, averaged dielectric constant, spin degree of freedom and finally the Hubbard repulsion coefficient which originates mostly from $4d$ orbits of Mo atoms. We find the electronic charge compressibility within the mean-field approximation and show that non-monotonic behavior of the compressibility as a function of carrier density which is rather different from those of the two-dimensional electron gas. We also explore a paramagnetic-to-ferromagnetic quantum phase transition for the wide range of the electron density in the parameter space.Comment: 9 pages, 4 figure

Theory of strain in single-layer transition metal dichalcogenides

Strain engineering has emerged as a powerful tool to modify the optical and electronic properties of two-dimensional crystals. Here we perform a systematic study of strained semiconducting transition metal dichalcogenides. The effect of strain is considered within a full Slater-Koster tight-binding model, which provides us with the band structure in the whole Brillouin zone. From this, we derive an effective low-energy model valid around the K point of the BZ, which includes terms up to second order in momentum and strain. For a generic profile of strain, we show that the solutions for this model can be expressed in terms of the harmonic oscillator and double quantum well models, for the valence and conduction bands respectively. We further study the shift of the position of the electron and hole band edges due to uniform strain. Finally, we discuss the importance of spin-strain coupling in these 2D semiconducting materials