Search results for "Fermi level"
showing 10 items of 113 documents
Novel Carbon Nanotubes Rolled from 6,6,12-Graphyne: Double Dirac Points in 1D Material
2017
Two kinds of novel carbon nanotubes, namely, (N, 0) and (0, N) 6,6,12-graphyne nanotubes (6,6,12-GNTs), are constructed by rolling up the rectangular 6,6,12-graphyne sheets along two different sides into cylinders. The mechanical and electronic properties of 6,6,12-GNTs with varied N from 3 to 20 are investigated by using density functional theory. Unlike the single-wall carbon nanotubes, the Young’s moduli of 6,6,12-GNTs do not remain constant in the case of (N, 0), but the (0, N) tubes possess almost the same one around 0.32 TPa. The band structures and density of states are also exhibited in this work. When the tube sizes N are bigger than four, Dirac points appear at Fermi level in the …
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.
High-pressure structural, lattice dynamics, and electronic properties of beryllium aluminate studied from first-principles theory
2021
Abstract The present work reports the complete study of structural, vibrational, mechanical, and electronic properties of BeAl2O4 (known as Chrysoberyl) using first-principles computing methods. The calculated ground-state properties agree quite well with previous experiments. The computed phonon dispersion curves do not show imaginary frequencies confirming the dynamical stability. In addition, the calculated elastic constants also ensure the mechanical stability through fulfillment of mechanical stability criteria. Apart from that, the theoretically determined phonon frequencies agree quite well with previous Raman and infrared experiments at ambient conditions. Various thermodynamic prop…
Optimum Carrier Concentration in n-Type PbTe Thermoelectrics
2014
Taking La- and I-doped PbTe as an example, the current work shows the effects of optimizing the thermoelectric figure of merit, zT, by controlling the doping level. The high doping effectiveness allows the carrier concentration to be precisely designed and prepared to control the Fermi level. In addition to the Fermi energy tuning, La-doping modifies the conduction band, leading to an increase in the density of states effective mass that is confirmed by transport, infrared reflectance and hard X-ray photoelectron spectroscopy measurements. Taking such a band structure modification effect into account, the electrical transport properties can then be well-described by a self-consistent single…
Bulk spin polarization of magnetite from spin-resolved hard x-ray photoelectron spectroscopy
2021
Physical review / B 104(4), 045129 (1-10) (2021). doi:10.1103/PhysRevB.104.045129
Capacitance-voltage characteristics of organic light-emitting diodes varying the cathode metal: Implications for interfacial states
2007
Capacitance-voltage $(C\text{\ensuremath{-}}V)$ characteristics of organic light-emitting diodes based on a polyphenylenevinylene have been measured by means of impedance spectroscopy. The effect of the metallic cathode (Au, Ag, Al, Mg, and Ba) was analyzed in the low-frequency region $(2\phantom{\rule{0.3em}{0ex}}\mathrm{Hz})$ of the capacitive response. The $C\text{\ensuremath{-}}V$ curves collapse into a single pattern in the low bias region, and exhibit a dependence on the cathode work function showing a crossover from positive to negative (inductive) values. The voltage corresponding to the onset of the inductive behavior shifts toward higher bias as the cathode work function increases…
Direct assessment of p–n junctions in single GaN nanowires by Kelvin probe force microscopy
2016
Making use of Kelvin probe force microscopy, in dark and under ultraviolet illumination, we study the characteristics of p-n junctions formed along the axis of self-organized GaN nanowires (NWs). We map the contact potential difference of the single NW p-n junctions to locate the space charge region and directly measure the depletion width and the junction voltage. Simulations indicate a shrinkage of the built-in potential for NWs with small diameter due to surface band bending, in qualitative agreement with the measurements. The photovoltage of the NW/substrate contact is studied by analysing the response of NW segments with p- and n-type doping under illumination. Our results show that th…
Characterizing low-coordinated atoms at the periphery of MgO-supported Au islands using scanning tunneling microscopy and electronic structure calcul…
2010
The perimeter of oxide-supported metal particles is suggested to be of pivotal importance for various catalytic processes. To elucidate the underlying effects, the electronic properties of edge and corner atoms of planar Au clusters on MgO/Ag(001) thin films have been analyzed with scanning tunneling microscopy and electronic structure calculations. The low-coordinated perimeter atoms are characterized by a high density of $s$-derived states at the Fermi level. Those states accommodate transfer electrons from the MgO/Ag substrate, which render the perimeter atoms negatively charged. In contrast, the inner atoms of the island are not affected by the charge transfer and remain neutral. This c…