Strain-induced energy band gap opening in two-dimensional bilayered silicon film

This work presents a theoretical study of the structural and electronic properties of bilayered silicon films under in-plane biaxial strain/stress using density functional theory. Atomic structures of the two-dimensional silicon films are optimized by using both the local-density approximation and generalized gradient approximation. In the absence of strain/stress, five buckled hexagonal honeycomb structures of the bilayered silicon film have been obtained as local energy minima and their structural stability has been verified. These structures present a Dirac-cone shaped energy band diagram with zero energy band gaps. Applying tensile biaxial strain leads to a reduction of the buckling height. Atomically flat structures with zero bucking height have been observed when the AA-stacking structures are under a critical biaxial strain. Increase of the strain between 10.7% ~ 15.4% results in a band-gap opening with a maximum energy band gap opening of ~168.0 meV obtained when 14.3% strain is applied. Energy band diagram, electron transmission efficiency, and the charge transport property are calculated.Comment: 18 pages, 5 figures, 1 tabl

Properties of Two-Dimensional Silicon grown on Graphene Substrate

The structure and electrical properties of a two-dimensional (2D) sheet of silicon on a graphene substrate are studied using first-principles calculations. A new corrugated rectangular structure of silicon is proposed to be the most energetically favorable structure. The shifting of the Fermi energy level indicates self-doping. Calculation of electron density shows a weak coupling between the silicon layer and graphene substrate. The 2D silicon sheet turns to be metallic and has a much higher value of transmission efficiency (TE) than the underlying graphene substrate.Comment: 5 Pages, 7 figure

Spin-phonon coupling in single Mn doped CdTe quantum dot

The spin dynamics of a single Mn atom in a laser driven CdTe quantum dot is addressed theoretically. Recent experimental results\cite{Le-Gall_PRL_2009,Goryca_PRL_2009,Le-Gall_PRB_2010}show that it is possible to induce Mn spin polarization by means of circularly polarized optical pumping. Pumping is made possible by the faster Mn spin relaxation in the presence of the exciton. Here we discuss different Mn spin relaxation mechanisms. First, Mn-phonon coupling, which is enhanced in the presence of the exciton. Second, phonon-induced hole spin relaxation combined with carrier-Mn spin flip coupling and photon emission results in Mn spin relaxation. We model the Mn spin dynamics under the influence of a pumping laser that injects excitons into the dot, taking into account exciton-Mn exchange and phonon induced spin relaxation of both Mn and holes. Our simulations account for the optically induced Mn spin pumping.Comment: 17 pages, 11 figures, submitted to PR

3D continuum phonon model for group-IV 2D materials

A general three-dimensional continuum model of phonons in two-dimensional materials is developed. Our first-principles derivation includes full consideration of the lattice anisotropy and flexural modes perpendicular to the layers and can thus be applied to any two-dimensional material. In this paper, we use the model to not only compare the phonon spectra among the group-IV materials but also to study whether these phonons differ from those of a compound material such as molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of the long-wavelength modes to density-functional results is included

Chern semi-metal and Quantized Anomalous Hall Effect in HgCr2Se4

In three dimensional (3D) momentum space of solid crystal, a topological phase boundary separating the Chern insulating layers from normal insulating layers may exist, where the gap must be closed, resulting in a "Chern semi-metal" state with topologically unavoidable band-crossings at fermi level. This state, if found to exist, is a condensed-matter realization of chiral fermions (or called Weyl fermions) in (3+1)D, and should exhibit remarkable features, like magnetic monopoles in the bulk and fermi arcs on the surface. Here we predict, based on first-principles calculations, that such novel quantum state can be realized in a known ferromagnetic compound HgCr2Se4, with a single pair of Weyl fermions separated in momentum space. The characteristic feature of this state in HgCr2Se4 is the presence of quantum Hall effect without external magnetic field in its quantum-well structure.Comment: Published on Phys. Rev. Lett. [5 pages, 4 figures

The k p Method: Electronic Properties of Semiconductors

This book presents a detailed exposition of the formalism and application of k.p theory for both bulk and nanostructured semiconductors. For bulk crystals, this is the first time all the major techniques for deriving the most popular Hamiltonians have been provided in one place. For nanostructures, this is the first time the Burt-Foreman theory has been made accessible. Thus, the reader will gain a clear understanding of the k.p method, will have an explicit listing of the various Hamiltonians in a consistent notation for their use, and a set of representative results. In addition, the reader can derive an excellent understanding of the electronic structure of semiconductors

Separable boundary-value problems in physics

Innovative developments in science and technology require a thorough knowledge of applied mathematics, particularly in the field of differential equations and special functions. These are relevant in modeling and computing applications of electromagnetic theory and quantum theory, e.g. in photonics and nanotechnology. The problem of solving partial differential equations remains an important topic that is taught at both the undergraduate and graduate level. Separable Boundary-Value Problems in Physics is an accessible and comprehensive treatment of partial differential equations