Search results for "Semimetal"
showing 10 items of 36 documents
Electronic Properties of Layered Ba0.5Sr0.5TiO3 Heterostructure: Ab initio Hybrid Density Functional Calculations
2005
Ab initio calculations of the BST heterostructure with equiatomic constituent of Sr and Ba species has been carried out within hybrid functional B3PW involving a hybrid of non-local Fock exchange and Becke's gradient corrected exchange functional combined with the non-local gradient corrected correlation potential by Perdew and Wang. The suggested scheme of calculations reproduces experimental lattice parameters of both pure BaTiO3 and SrTiO3. The calculated optical band gap for the pure SrTiO3 (BaTiO3) is 3.56 (3.46) eV (expt. 3.25 and 3.20 eV, respectively), i.e. agreement is much better than in the standard LDA or HF calculations. In the Ba0.5Sr0.5TiO3 solid solution the gap is reduced b…
Engineering Topological Nodal Line Semimetals in Rashba Spin-Orbit Coupled Atomic Chains
2019
We study an atomic chain in the presence of modulated charge potential and modulated Rashba spin-orbit coupling (RSOC) of equal period. We show that for commensurate periodicities $\lambda=4 n$ with integer $n$, the three-dimensional synthetic space obtained by sliding the two phases of the charge potential and RSOC features a topological nodal line semimetal protected by an antiunitary particle-hole symmetry. The location and shape of the nodal lines strongly depend on the relative amplitude between the charge potential and RSOC.
Creating stable Floquet–Weyl semimetals by laser-driving of 3D Dirac materials
2017
Nature Communications 8, 13940 (2017). doi:10.1038/ncomms13940
Tailoring of the Solid State Properties of Al–Nb Mixed Oxides: A Photoelectrochemical Study
2013
Al–Nb containing mixed oxides were grown by anodizing sputter-deposited Al–Nb alloys of different compositions. A photoelectrochemical investigation was carried out in order to estimate the band gap, flat band potential, and conductivity type of these oxides as a function of their composition. The dependence of the band gap on the composition of mixed sp–d metal oxides has been rationalized by using a semiempirical correlation between the difference of electronegativity and band gap of oxides proposed in the literature some years ago and recently tested for regular d–d metal mixed oxides. The band gap increase observed as a function of Al content into the oxides seems mainly depending on th…
Hall effect and electronic structure of films
2010
Abstract Tunneling experiments have shown that in order to retain half-metallicity at room temperature not only a large gap is required but also a Fermi energy considerably distant from the minority band edges. We correlate the position of the Fermi energy in the spin minority gap obtained from band structure calculations to Hall effect experiments. As a model system we chose Co 2 Fe x Mn 1 - x Si , where the Fermi energy was calculated to move from the valence band edge of the minority states to the conduction band edge with increasing x . On high quality laser ablated epitaxial films we observe a sign change of both the normal and the anomalous Hall effect with doping. The experimental da…
Band structure of indium selenide investigated by intrinsic photoluminescence under high pressure
2004
This paper reports on photoluminescence experiments in $n$-type indium selenide $(T=300\phantom{\rule{0.3em}{0ex}}\mathrm{K})$ under hydrostatic pressure up to 7 GPa at low and high excitation densities. Photoluminescence measurements at low excitation density exhibit a broad band around the energy of the direct band gap of $\mathrm{InSe}$ and with the same pressure dependence. The reversible increase of its linewidth above $1\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$ is associated to a direct-to-indirect band-gap crossover between valence band maxima. The reversible decrease of its intensity above $4\phantom{\rule{0.3em}{0ex}}\mathrm{GPa}$ is interpreted as evidence of a direct-to-indirect b…
Surface band-gap narrowing in quantized electron accumulation layers.
2010
An energy gap between the valence and the conduction band is the defining property of a semiconductor, and the gap size plays a crucial role in the design of semiconductor devices. We show that the presence of a two-dimensional electron gas near to the surface of a semiconductor can significantly alter the size of its band gap through many-body effects caused by its high electron density, resulting in a surface band gap that is much smaller than that in the bulk. Apart from reconciling a number of disparate previous experimental findings, the results suggest an entirely new route to spatially inhomogeneous band-gap engineering.
Correlation in Heusler compounds YSi(Y=3d transition metal)
2007
Abstract Ferromagnetic Co 2 -based Heusler compounds have generated increasing interest over the last few years because of their peculiar electronic structure. They exhibit a band gap for the electrons of one direction and are metallic for the other. Further, they cover a very wide range of magnetic moments and Curie temperatures. Despite lot of efforts in theory and experiment to describe bulk materials and thin films, there are some marked discrepancies between observed and predicted properties of these materials. These discrepancies appear not only across but also within synthesis methods as well as in the theoretical predictions. In this contribution, the electronic structure of Co 2 YS…
Charge transfer and tunable minority band gap at the Fermi energy of a quaternaryCo2(MnxTi1−x)GeHeusler alloy
2010
We investigate the distribution of element-specific magnetic moments and changes in the spin-resolved unoccupied density of states in a series of half-metallic ${\text{Co}}_{2}({\text{Mn}}_{x}{\text{Ti}}_{1\ensuremath{-}x})\text{Ge}$ Heusler alloys using x-ray magnetic circular dichroism. The Co and Mn magnetic moments are oriented parallel while a small Ti moment shows antiparallel to the mean magnetization. The element-specific magnetic moments remain almost independent on the composition. Therefore, a replacement of Ti by Mn results in an increase in magnetization. The increase in magnetization with increasing $x$ follows the Slater-Pauling rule. The Fermi level decreases with respect to…
Synthesis and thermoelectric characterisation of bismuth nanoparticles
2009
An effective method of preparation of bismuth nanopowders by thermal decomposition of bismuth dodecyl-mercaptide Bi(SC12H25)3 and preliminary results on their thermoelectric properties are reported. The thermolysis process leads to Bi nanoparticles due to the efficient capping agent effect of the dodecyl-disulfide by-product, which strongly bonds the surface of the Bi clusters, preventing their aggregation and significantly reducing their growth rate. The structure and morphology of the thermolysis products were investigated by differential scanning calorimetry, thermogravimetry, X-ray diffractometry, 1H nuclear magnetic resonance spectroscopy, scanning electron microscopy, and energy dispe…