Artificial graphene consisting of honeycomb lattices other than the atomic layer of carbon has been shown to exhibit electronic properties similar to real graphene. Here, we reverse the argument to show that transport properties of real graphene can
be captured by simulations using theoretical artificial graphene. To prove this, we first derive a simple condition, along with its restrictions, to achieve band structure invariance for a scalable graphene lattice. We then present transport measurements for an ultraclean suspended single-layer graphene pn junction device, where ballistic transport features from complex Fabry-Perot interference (at zero magnetic field) to the quantum Hall effect (at unusually low field) are observed and are well reproduced by transport simulations based on properly scaled single-particle tight-binding models. Our findings indicate that transport simulations for graphene can be efficiently performed with a strongly reduced number of atomic sites, allowing for reliable predictions for electric properties of complex graphene devices. We demonstrate the capability of the model by applying it to predict so-far unexplored gate-defined conductance quantization in single-layer graphene.
The quantum capacitance model is applied to obtain an exact solution for the space-resolved carrier density in a multigated doped graphene sheet at zero temperature, with quantum correction arising from the finite electron capacity of the graphene it
self taken into account. The exact solution is demonstrated to be equivalent to the self-consistent Poisson-Dirac iteration method by showing an illustrative example, where multiple gates with irregular shapes and a nonuniform dopant concentration are considered. The solution therefore provides a fast and accurate way to compute spatially varying carrier density, on-site electric potential energy, as well as quantum capacitance for bulk graphene, allowing for any kind of gating geometry with any number of gates and any types of intrinsic doping.
This article aims at providing a self-contained introduction to theoretical modeling of gate-induced carrier density in graphene sheets. For this, relevant theories are introduced, namely, classical capacitance model (CCM), self-consistent Poisson-Di
rac method (PDM), and quantum capacitance model (QCM). The usage of Matlab pdetool is also briefly introduced, pointing out the least knowledge required for using this tool to solve the present electrostatic problem. Results based on the three approaches are compared, showing that the quantum correction, which is not considered by the CCM but by the other two, plays a role only when the metal gate is exceedingly close to the graphene sheet, and that the exactly solvable QCM works equally well as the self-consistent PDM. Practical examples corresponding to realistic experimental conditions for generating graphene pnp junctions and superlattices, as well as how a background potential linear in position can be achieved in graphene, are shown to illustrate the applicability of the introduced methods. Furthermore, by treating metal contacts in the same way, the last example shows that the PDM and the QCM are able to resolve the contact-induced doping and screening potential, well agreeing with the previous first-principles studies.
The quantum transport formalism based on tight-binding models is known to be powerful in dealing with a wide range of open physical systems subject to external driving forces but is, at the same time, limited by the memory requirements increasing wit
h the number of atomic sites in the scattering region. Here we demonstrate how to achieve an accurate simulation of quantum transport feasible for experimentally sized bulk graphene heterojunctions at a strongly reduced computational cost. Without free tuning parameters, we show excellent agreement with a recent experiment on Klein backscattering [A. F. Young and P. Kim, Nature Phys. 5, 222 (2009)].
Within an effective Dirac theory the low-energy dispersions of monolayer graphene in the presence of Rashba spin-orbit coupling and spin-degenerate bilayer graphene are described by formally identical expressions. We explore implications of this corr
espondence for transport by choosing chiral tunneling through pn and pnp junctions as a concrete example. A real-space Greens function formalism based on a tight-binding model is adopted to perform the ballistic transport calculations, which cover and confirm previous theoretical results based on the Dirac theory. Chiral tunneling in monolayer graphene in the presence of Rashba coupling is shown to indeed behave like in bilayer graphene. Combined effects of a forbidden normal transmission and spin separation are observed within the single-band n to p transmission regime. The former comes from real-spin conservation, in analogy with pseudospin conservation in bilayer graphene, while the latter arises from the intrinsic spin-Hall mechanism of the Rashba coupling.
A general form of the Hamiltonian for electrons confined to a curved one-dimensional (1D) channel with spin-orbit coupling (SOC) linear in momentum is rederived and is applied to a U-shaped channel. Discretizing the derived continuous 1D Hamiltonian
to a tight-binding version, the Landauer-Keldysh formalism (LKF) for nonequilibrium transport can be applied. Spin transport through the U-channel based on the LKF is compared with previous quantum mechanical approaches. The role of a curvature-induced geometric potential which was previously neglected in the literature of the ring issue is also revisited. Transport regimes between nonadiabatic, corresponding to weak SOC or sharp turn, and adiabatic, corresponding to strong SOC or smooth turn, is discussed. Based on the LKF, interesting charge and spin transport properties are further revealed. For the charge transport, the interplay between the Rashba and the linear Dresselhaus (001) SOCs leads to an additional modulation to the local charge density in the half-ring part of the U-channel, which is shown to originate from the angle-dependent spin-orbit potential. For the spin transport, theoretically predicted eigenstates of the Rashba rings, Dresselhaus rings, and the persistent spin-helix state are numerically tested by the present quantum transport calculation.
Anomalous spin Hall effects that belong to the intrinsic type in Dresselhaus (110) quantum wells are discussed. For the out-of-plane spin component, antisymmetric current-induced spin polarization induces opposite spin Hall accumulation, even though
there is no spin-orbit force due to Dresselhaus (110) coupling. A surprising feature of this spin Hall induction is that the spin accumulation sign does not change upon bias reversal. Contribution to the spin Hall accumulation from the spin Hall induction and the spin deviation due to intrinsic spin-orbit force as well as extrinsic spin scattering, can be straightforwardly distinguished simply by reversing the bias. For the inplane component, inclusion of a weak Rashba coupling leads to a new type of $S_y$ intrinsic spin Hall effect solely due to spin-orbit-force-driven spin separation.
The spin-split states subject to Rashba spin-orbit coupling in two-dimensional systems have long been accepted as pointing inplane and perpendicular to the corresponding wave vectors. This is in general true for free electron model, but exceptions do
exist elsewhere. Within the tight-binding model, we unveil the unusual upstanding behavior of those Rashba spins around $bar{K}$ and $bar{K}^{prime}$ points in honeycomb lattices. Our calculation (i) explains the recent experiment of the Tl/Si(111)-$(1times1)$ surface alloy [Phys. Rev. Lett. textbf{102}, 096805 (2009)], where abrupt upstanding spin states near $bar{K}$ are observed, and (ii) predicts an electrically reversible out-of-plane surface spin polarization.
Current-induced spin polarization (CISP) is rederived in ballistic spin-orbit-coupled electron systems, based on equilibrium statistical mechanics. A simple and useful picture is correspondingly proposed to help understand the CISP and predict the po
larization direction. Nonequilibrium Landauer-Keldysh formalism is applied to demonstrate the validity of the statistical picture, taking the linear Rashba-Dresselhaus [001] two-dimensional system as a specific example. Spin densities induced by the CISP in semiconductor heterostructures and in metallic surface states are compared, showing that the CISP increases with the spin splitting strength and hence suggesting that the CISP should be more observable on metal and semimetal surfaces due to the discovered strong Rashba splitting. An application of the CISP designed to generate a spin-Hall pattern in the inplane, instead of the out-of-plane, component is also proposed.
