Search results for "semimetal"

2014

Hard x-ray photoelectron spectroscopy (HAXPES) is used to investigate the intrinsic electronic properties of single crystal epitaxial CdO(100) thin films grown by metal organic vapor phase epitaxy (MOVPE). The reduced surface sensitivity of the HAXPES technique relaxes stringent surface preparation requirements, thereby allowing the measurement of as-grown samples with intrinsically higher carrier concentration (n=2.4×1020cm−3). High-resolution HAXPES spectra of the valence band and core levels measured at photon energy of 6054 eV are presented. The effects of conduction band filling and band gap renormalization are discussed to explain the observed binding energy shifts. The measured bandw…

Effect of Charge Transfer in Magnetic-Plasmonic Au@MOx (M = Mn, Fe) Heterodimers on the Kinetics of Nanocrystal Formation

2015

Heteronanoparticles represent a new class of nanomaterials exhibiting multifunctional and collective properties, which could find applications in medical imaging and therapy, catalysis, photovoltaics, and electronics. This present work demonstrates the intrinsic heteroepitaxial linkage in heterodimer nanoparticles to enable interaction of the individual components across their interface. It revealed distinct differences between Au@MnO and Au@Fe3O4 regarding the synthetic procedure and growth kinetics, as well as the properties to be altered by the variation of the electronic structure of the metal oxides. The chemically related metal oxides differ concerning their band gap; while MnO is a M…

Theoretical and Experimental Study of the Crystal Structures, Lattice Vibrations, and Band Structures of Monazite-Type PbCrO4, PbSeO4, SrCrO4, and Sr…

2015

The crystal structures, lattice vibrations, and electronic band structures of PbCrO4, PbSeO4, SrCrO4, and SrSeO4 were studied by ab initio calculations, Raman spectroscopy, X-ray diffraction, and optical-absorption measurements. Calculations properly describe the crystal structures of the four compounds, which are isomorphic to the monazite structure and were confirmed by X-ray diffraction. Information is also obtained on the Raman- and IR-active phonons, with all of the vibrational modes assigned. In addition, the band structures and electronic densities of states of the four compounds were determined. All are indirect-gap semiconductors. In particular, chromates are found to have band gap…

First principles defect energetics for simulations of silicon carbide under irradiation: Kinetic mechanisms of silicon di-interstitials

2014

Understanding the modification of the properties of silicon carbide under irradiation from the very fundamental point of view of atomic bonds and electronic structure can become possible in the next few years, thanks to the effort made in the last two decades to understand point defects from first principles calculations, but also thanks to the coupling of these results with simulation tools designed to describe larger spatial (and temporal) scales. We discuss some of the missing tiles that would allow to advance in this direction, in particular the incomplete data on defect clusters, and we present some first principles results for small silicon aggregates. We examine the stability, migrat…

Electronic structure and optical properties of CdTe rock-salt high pressure phase

2003

This paper reports on optical absorption and reflectance measurements in thin CdTe samples up to 15 GPa. All studied samples become virtually opaque at the pressure transition between the zinc-blende and rock-salt phases (3.9 GPa). As pressure increases up to 10 GPa, a relative transparency region is observed between 1.2 eV and 2.4 eV, whose high energy edge shifts to higher photon energies. Above 10 GPa the transparency region gradually shrinks and disappears at about 11 GPa. The low energy side of the absorption spectrum is attributed to free carrier absorption, as electronic structure calculations show that rock-salt CdTe is a semimetal or a low gap semiconductor. Band filling effects lo…

Light-Driven Extremely Nonlinear Bulk Photogalvanic Currents

2021

We predict the generation of bulk photocurrents in materials driven by bichromatic fields that arc circularly polarized and corotating. The nonlinear photocurrents have a fully controllable directionality and amplitude without requiring carrier-envelope-phase stabilization or few-cycle pulses, and can be generated with photon energies much smaller than the band gap (reducing heating in the photoconversion process). We demonstrate with ab initio calculations that the photocurrent generation mechanism is universal and arises in gaped materials (Si, diamond, MgO, hBN), in semimetals (graphene), and in two- and three-dimensional systems. Photocurrents are shown to rely on sub-laser-cycle asymme…

Mixed topology ring states for Hall effect and orbital magnetism in skyrmions of Weyl semimetals

2020

Skyrmion lattices as a novel type of chiral spin states are attracting increasing attention, owing to their peculiar properties stemming from real-space topological properties. At the same time, the properties of magnetic Weyl semimetals with complex $k$-space topology are moving into the focus of research in spintronics. We consider the Hall transport properties and orbital magnetism of skyrmion lattices imprinted in topological semimetals, by employing a minimal model of a 2D mixed Weyl semimetal which, as a function of the magnetization direction, exhibits two Chern insulator phases separated by a Weyl state for an an in-plane magnetization direction. We find that while the orbital magne…

Quantum size effects in a one-dimensional semimetal

2006

We study theoretically the quantum size effects in a one-dimensional semimetal by a Boltzmann transport equation. We derive analytic expressions for the electrical conductivity, Hall coefficient, magnetoresistance, and the thermoelectric power in a nanowire. The transport coefficients of semimetal oscillate as the size of the sample shrinks. Below a certain size the semimetal evolves into a semiconductor. The semimetal-semiconductor transition is discussed quantitatively. The results should make a theoretical ground for better understanding of transport phenomena in low-dimensional semimetals. They can also provide useful information while studying low-dimensional semiconductors in general.

Crystal symmetry and pressure effects on the valence band structure ofγ-InSe andε-GaSe: Transport measurements and electronic structure calculations

2005

This paper reports on Hall effect and resistivity measurements under high pressure up to 3--4 GPa in $p$-type $\ensuremath{\gamma}$-indium selenide (InSe) (doped with As, Cd, or Zn) and $\ensuremath{\epsilon}$-gallium selenide (GaSe) (doped with N or Sn). The pressure behavior of the hole concentration and mobility exhibits dramatic differences between the two layered compounds. While the hole concentration and mobility increase moderately and monotonously in $\ensuremath{\epsilon}$-GaSe, a large increase of the hole concentration near 0.8 GPa and a large continuous increase of the hole mobility, which doubled its ambient pressure value by 3.2 GPa, is observed in $\ensuremath{\gamma}$-InSe.…

Momentum-space structure of surface states in a topological semimetal with a nexus point of Dirac lines

2016

Three-dimensional topological semimetals come in different variants, either containing Weyl points or Dirac lines. Here we describe a more complicated momentum-space topological defect where several separate Dirac lines connect with each other, forming a momentum-space equivalent of the real-space nexus considered before for helium-3. Close to the nexus the Dirac lines exhibit a transition from type I to type II lines. We consider a general model of stacked honeycomb lattices with the symmetry of Bernal (AB) stacked graphite and show that the structural mirror symmetries in such systems protect the presence of the Dirac lines, and also naturally lead to the formation of the nexus. By the bu…