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Register a new userElectronic band structure engineering in InAs/InSbAs and InSb/InSbAs superlattice heterostructures
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We report a detailed ab initio study of two superlattice heterostructures, one component of which is a unit cell of CuPt ordered InSb_(0.5)As_(0.5). This alloy part of the heterostructures is a topological semimetal. The other component of each system is a semiconductor, zincblende-InSb, and wurtzite-InAs. Both heterostructures are semiconductors. Our theoretical analysis predicts that the variation in the thickness of the InSb layer in InSb/InSb_(0.5)As_(0.5) heterostructure renders altered band gaps with different characteristics (i.e. direct or indirect). The study holds promise for fabricating heterostructures, in which the modulation of the thickness of the layers changes the number of carrier pockets in these systems.
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The electronic structure of surfaces plays a key role in the properties of quantum devices. However, surfaces are also the most challenging to simulate and engineer. Here, we study the electronic structure of InAs(001), InAs(111), and InSb(110) surfaces using a combination of density functional theory (DFT) and angle-resolved photoemission spectroscopy (ARPES). We were able to perform large-scale first principles simulations and capture effects of different surface reconstructions by using DFT calculations with a machine-learned Hubbard U correction [npj Comput. Mater. 6, 180 (2020)]. To facilitate direct comparison with ARPES results, we implemented a bulk unfolding scheme by projecting the calculated band structure of a supercell surface slab model onto the bulk primitive cell. For all three surfaces, we find a good agreement between DFT calculations and ARPES. For InAs(001), the simulations clarify the effect of the surface reconstruction. Different reconstructions are found to produce distinctive surface states. For InAs(111) and InSb(110), the simulations help elucidate the effect of oxidation. Owing to larger charge transfer from As to O than from Sb to O, oxidation of InAs(111) leads to significant band bending and produces an electron pocket, whereas oxidation of InSb(110) does not. Our combined theoretical and experimental results may inform the design of quantum devices based on InAs and InSb semiconductors, e.g., topological qubits utilizing the Majorana zero modes.
We have predicted a new phase of nitrogen with octagon structure in our previous study, which we referred to as octa-nitrogene (ON). In this work, we make further investigation on its electronic structure. The phonon band structure has no imaginary phonon modes, which indicates that ON is dynamically stable. Using ab initio molecular dynamic simulations, the structure is found to stable up to 100K, and ripples that are similar to that of graphene is formed on the ON sheet. Based on DFT calculation on its band structure, single layer ON is a 2D large-gap semiconductor with a band gap of 4.7eV. Because of inter-layer interaction, stackings can decrease the band gap. Biaxial tensile strain and perpendicular electric field can greatly influence the band structure of ON, in which the gap decreases and eventually closes as the biaxial tensile strain or the perpendicular electric field increases. In other words, both biaxial tensile strain and perpendicular electric field can drive the insulator-to-metal transition, and thus can be used to engineer the band gap of ON. From our results, ON has potential applications in the electronics, semiconductors, optics and spintronics, and so on.
Artificially constructed van der Waals heterostructures (vdWHs) provide an ideal platform for realizing emerging quantum phenomena in condensed matter physics. Two methods for building vdWHs have been developed: stacking two-dimensional (2D) materials into a bilayer structure with different lattice constants, or with different orientations. The interlayer coupling stemming from commensurate or incommensurate superlattice pattern plays an important role in vdWHs for modulating the band structures and generating new electronic states. In this article, we review a series of novel quantum states discovered in two model vdWH systems -- graphene/hexagonal boron nitride (hBN) hetero-bilayer and twisted bilayer graphene (tBLG), and discuss how the electronic structures are modified by such stacking and twisting. We also provide perspectives for future studies on hetero-bilayer materials, from which an expansion of 2D material phase library is expected.
Stanene (single-layer grey tin), with an electronic structure akin to that of graphene but exhibiting a much larger spin-orbit gap, offers a promising platform for room-temperature electronics based on the quantum spin Hall (QSH) effect. This material has received much theoretical attention, but a suitable substrate for stanene growth that results in an overall gapped electronic structure has been elusive; a sizable gap is necessary for room-temperature applications. Here, we report a study of stanene epitaxially grown on the (111)B-face of indium antimonide (InSb). Angle-resolved photoemission spectroscopy (ARPES) measurements reveal a gap of 0.44 eV, in agreement with our first-principles calculations. The results indicate that stanene on InSb(111) is a strong contender for electronic QSH applications.
Majorana zero modes have been proposed as building blocks for fault-tolerant quantum information processing. They can be realized in semiconductors with strong spin-orbit interaction coupled to a superconductor. Experimental advances in the field of topological superconductivity have often been triggered by the development of new hybrid material systems. Among these, two-dimensional electron gases (2DEGs) are of particular interest due to their inherent design flexibility and scalability. Here we discuss results on a hybrid 2D platform based on a ternary 2DEG (InSbAs) coupled to in-situ grown Aluminum. The spin-orbit coupling in these 2DEGs can be tuned with the As concentration, reaching values up to 400 meV$unicode{xC5}$, thus exceeding typical values measured in its binary constituents. In addition to a large Lande g-factor $sim$ 55 (which is comparable to InSb), we show that the clean superconductor-semiconductor interface leads to highly transparent Josephson junctions and a hard induced superconducting gap in the proximitized semiconductor. Using this new platform we demonstrate the basic operation of phase-controllable Josephson junctions, superconducting islands and quasi-1D systems, prototypical device geometries used to study Majoranas. Our results establish InSbAs/Al 2DEGs as a promising material system to realize topological superconductivity.
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