相关论文: Edge State and Intrinsic Hole Doping in Bilayer Ph…

Phosphorene, the monolayer form of the (black) phosphorus, was recently exfoliated from its bulk counterpart. Phosphorene oxide, by analogy to graphene oxide, is expected to have novel chemical and electronic properties, and may provide an…

We systematically explore chemical functionalization of monolayer black phosphorene via chemisorption of oxygen and fluorine atoms. Using the cluster expansion technique, with vary- ing concentration of the adsorbate, we determine the…

For 2D topological insulators with strong electron-hole hybridization, such as HgTe/CdTe quantum wells, the widely used 4 x 4 k.p Hamiltonian based on the first electron and heavy hole sub-bands yields an equal number of physical and…

We studied the real space structure of states in twisted bilayer graphene at the `magic angle' $\theta = 1.08^\circ$. The flat bands close to charge neutrality are composed of a mix of `ring' and `center' orbitals around the AA stacking…

We report on the theoretical electronic spectra of twisted phosphorene bilayers exhibiting moir\'e patterns, as computed by means of a continuous approximation to the moir\'e superlattice Hamiltonian. Our model is constructed by…

We present a valence transition model for electron- and hole-doped cuprates, within which there occurs a discrete jump in ionicity Cu$^{2+} \to$ Cu$^{1+}$ upon doping, at or near optimal doping in the electron-doped compounds and at the…

Ferroelectric hafnia (HfO2) holds promise for next-generation memory and logic applications because of its CMOS compatibility. However, the high coercive field required for polarization switching in HfO2 remains a critical challenge for…

We investigate the electronic and optical properties of monolayer and stacking dependent bilayer blue phosphorus in the framework of density functional theory (DFT) and tight-binding approximations. We extract the hopping parameters of TB…

Bi2Sr2-xLaxCuO6+d and Bi2-yPbySr2-xLaxCuO6+d high-Tc superconductors in a wide doping range from overdoped to heavily underdoped were studied by X-ray absorption and photo-emission spectroscopy. The hole concentration p was determined by an…

We study the electronic and optical properties of single- and bilayer black phosphorus with shortand long-range defects by using the tight-binding propagation method. Both types of defect states are localized and induce a strong scattering…

Using mean-field theory, we determine the electronic phase diagram of undoped AB-stacked bilayer graphene in the presence of a transverse electric field. In addition to multiple competing electronic instabilities characterized by excitonic…

Density functional theory calculations have been carried out to investigate single-layer phosphorene functionalized with two kinds of organic molecules, i.e. an electrophilic molecule tetracyano-p-quinodimethane (TCNQ) as electron acceptor…

Black phosphorus (BP) is receiving significant attention because of its direct 0.4-1.5 eV layer-dependent band gap and high mobility. Because BP devices rely on exfoliation from bulk crystals, there is a need to understand native impurities…

We investigate the electronic band structure of modulation-doped GaAs/AlGaAs core-shell nanowires for both n- and p-doping. We developed an 8-band Burt-Foreman k.p Hamiltonian approach to describe coupled conduction and valence bands in…

Quantum spin Hall (QSH) state of matter has a charge excitation bulk bandgap and a pair of gapless spin-filtered edge-states, which can support backscattering-free transport. Bilayer phosphorene possesses a large tunable bandgap and high…

We theoretically argue that, in doped AB bilayer graphene, the electron-electron coupling can give rise to the spontaneous formation of fractional metal phases. These states, being generalizations of a more common half-metal, have a Fermi…

We derive a model of localized edge states in the finite width strip for two-dimensional electron gas formed in the hybrid system of bismuth monolayer deposited on the silicon interface and described by the nearly-free electron model with…

The edge physics of graphene based systems is well known to be highly sensitive to the atomic structure at the boundary, with localized zero mode edge states found only on the zigzag type termination of the lattice. Here we demonstrate that…

The presence of a topologically non-trivial discrete invariants implies the existence of gapless modes in finite samples, but it does not necessarily imply their localization. The disappearance of the indirect energy gap in the bulk…

Phosphorene, a monolayer of black phosphorus, is a two-dimensional material that lacks a multivalley structure in the Brillouin zone and has negligible spin-orbit coupling. This makes it a promising candidate for investigating the orbital…