Band offset

About: Band offset is a research topic. Over the lifetime, 2446 publications have been published within this topic receiving 53450 citations.

Nanotube wires on commensurate InAs surfaces: binding energies, band alignments, and bipolar doping by the surfaces.

Abstract: Using first-principles methods, we study the physicochemical properties such as the binding mechanism and band offset for single-wall zigzag nanotubes on InAs. While the tubes maintain their structural and electronic integrity, binding energies as large as 0.4 eV per site are obtained. Except for semiconducting tubes on the polar surfaces, an approximate universal band alignment is also obtained. The exception is due to large surface dipoles. In fact, polar (111) and (1 1 1) surfaces have opposite dipoles that cause autodoping of a (14, 0) tube to the n and the p type, respectively, without actual dopant.

Strain Modulation of Electronic Properties of Monolayer Black Phosphorus

Abstract: Recent advances in the fabrication of monolayer black phosphorus (MBP) call for a detailed understanding of the physics underlying the electronic structure and related modulation by the method of strain engineering. Here, we present an analytic study to explore the uniaxial strain effect of band structure in MBP based on the first-principles calculations and atomic-bond-relaxation correlation mechanism. It was found that the stress responses of MBP show evident anisotropy due to different edge type structures. The electronic band structure of MBP can be tuned by the applied strain. Moreover, we propose an analytic expression for the variation of the bandgap induced by the uniaxial strain from the perspective of atomistic origin, which suggests an effective bridge between the measurable quantities and the atomic bond identities of MBP. The underlying mechanism on the strain-dependent band offset can be attributed to the variation of crystal potential induced by the changes of bond length, strength, and ang...