Electronic Structure of Monolayer FeSe on Si(001) from First Principles

The huge increase in the superconducting transition temperature of FeSe induced by an interface to SrTiO3 remains unexplained to date. However, there are numerous indications of the critical importance of specific features of the FeSe band topology in the vicinity of the Fermi surface. Here, we explore how the electronic structure of FeSe changes when located on another lattice matched substrate, namely a Si(001) surface, by first-principles calculations based on the density functional theory. We study non-magnetic (NM) and checkerboard anti-ferromagnetic (AFM) magnetic orders in FeSe and determine which interface arrangement is preferred. Our calculations reveal interesting effects of Si proximity on the FeSe band structure. Bands corresponding to hole pockets at the Γ point in NM FeSe are generally pushed down below the Fermi level, except for one band responsible for a small remaining hole pocket. Bands forming electron pockets centered at the M point of the Brillouin zone become less dispersive, and one of them is strongly hybridized with Si. We explain these changes by a redistribution of electrons between different Fe 3d orbitals rather than charge transfer to/from Si, and we also notice an associated loss of degeneracy between dxz and dyz orbitals.

Effect of Sr Doping on Structural and Transport Properties of Bi2Te3

Search for doped superconducting topological insulators is of prime importance for new quantum technologies. We report on fabrication of Sr-doped Bi2Te3 single crystals. We found that Bridgman grown samples have p-type conductivity in the low 1019 cm−3, high mobility of 4000 cm2V−1s−1, crystal structure independent on nominal dopant content, and no signs of superconductivity. We also studied molecular beam epitaxy grown SrxBi2−xTe3 films on lattice matched (1 1 1) BaF2 polar surface. Contrary to the bulk crystals thin films have n-type conductivity. Carrier concentration, mobility and c-lattice constant demonstrate pronounced dependence on Sr concentration x. Variation of the parameters did not lead to superconductivity. We revealed, that transport and structural parameters are governed by Sr dopants incorporation in randomly inserted Bi bilayers into the parent matrix. Thus, our data shed light on the structural position of dopant in Bi2Te3 and should be helpful for further design of topological insulator-based superconductors.

High-Efficiency Ultrathin Si-Based Solar Cells by Cascading Dilute-Nitride GaNAsP

Thin-film solar cells are currently an important research subject. In this study, a lattice-matched GaNAsP/Si tandem cell was designed. We adopted the drift-diffusion model to analyze the power conversion efficiency (PCE) of the solar cell. To find the maximum solar cell PCE, the recombination terms and the interlayer between subcells was omitted. For an optimal tandem cell PCE, this study analyzed the mole fraction combinations of GaNAsP and the thickness combinations between the GaNAsP and the Si subcells of the tandem cell. Our results showed the superiority of the tandem cell over the Si cell. The 4.5 μm tandem cell had a 12.7% PCE, the same as that of the 10.7 μm Si cell. The 11.5 μm tandem cell had 20.2% PCE, while the 11.5 μm Si cell processed 12.7% PCE. We also analyzed the Si subcell thickness ratio of sub-12 μm tandem cells for maximum PCE. The tandem cell with a thickness between 40% to 70% of a Si cell would have a max PCE. The ratio depended on the tandem cell thickness. We conclude that the lattice-matched GaNAsP/Si tandem cell has potential for ultrathin thin Si-based solar cell applications.

Refractive Index of Heavily Germanium-Doped Gallium Nitride Measured by Spectral Reflectometry and Ellipsometry

Gallium nitride (GaN) doped with germanium at a level of 1020 cm−3 is proposed as a viable material for cladding layers in blue- and green-emitting laser diodes. Spectral reflectometry and ellipsometry are used to provide evidence of a reduced index of refraction in such layers. The refractive-index contrast to undoped GaN is about 0.990, which is comparable to undoped aluminium gallium nitride (AlGaN) with an aluminium composition of 6%. Germanium-doped GaN layers are lattice-matched to native GaN substrates; therefore, they introduce no strain, cracks, and wafer bowing. Their use, in place of strained AlGaN layers, will enable significant improvements to the production process yield.

Droplet epitaxy of InAs/InP quantum dots via MOVPE by using an InGaAs interlayer

InAs quantum dots (QDs) are grown on an In0.53Ga0.47As interlayer and embedded in an InP(100) matrix. They are fabricated via droplet epitaxy (DE) in a Metal Organic Vapor Phase Epitaxy (MOVPE) reactor. Formation of metallic Indium droplets on the In0.53Ga0.47As lattice-matched layer and their crystallization into QDs is demonstrated for the first time in MOVPE. The presence of the In0.53Ga0.47As layer prevents the formation of an unintentional non-stoichiometric 2D layer underneath and around the QDs, via suppression of the As-P exchange. The In0.53Ga0.47As layer affects the surface diffusion leading to a modified droplet crystallization process, where unexpectedly the size of the resulting QDs is found to be inversely proportional to the Indium supply. Bright single dot emission is detected via micro-photoluminescence at low temperature, ranging from 1440 to 1600 nm, covering the technologically relevant telecom C-band. Transmission Electron Microscopy (TEM) investigations reveal buried quantum dots with truncated pyramid shape without defects or dislocations.

Tuning two-dimensional electron and hole gases at LaInO3/BaSnO3 interfaces by polar distortions, termination, and thickness

Two-dimensional electron gases (2DEG), arising due to quantum confinement at interfaces between transparent conducting oxides, have received tremendous attention in view of electronic applications. Here, we explore the potential of interfaces formed by two lattice-matched wide-gap oxides of emerging interest, i.e., the polar, orthorhombic perovskite LaInO3 and the nonpolar, cubic perovskite BaSnO3, employing first-principles approaches. We find that the polar discontinuity at the interface is mainly compensated by electronic relaxation through charge transfer from the LaInO3 to the BaSnO3 side. This leads to the formation of a 2DEG hosted by the highly dispersive Sn-s-derived conduction band and a 2D hole gas of O-p character, strongly localized inside LaInO3. We rationalize how polar distortions, termination, thickness, and dimensionality of the system (periodic or non-periodic) can be exploited in view of tailoring the 2DEG characteristics, and why this material is superior to the most studied prototype LaAlO3/SrTiO3.