Search results for "Fermi level"
showing 10 items of 113 documents
Temperature and doping dependence of normal state spectral properties in a two-orbital model for ferropnictides
2016
Using a second-order perturbative Green's functions approach we determined the normal state single-particle spectral function $A(\vec{k},\omega)$ employing a minimal effective model for iron-based superconductors. The microscopic model, used before to study magnetic fluctuations and superconducting properties, includes the two effective tight-binding bands proposed by S.Raghu et al. [Phys. Rev. B 77, 220503 (R) (2008)], and intra- and inter-orbital local electronic correlations, related to the Fe-3d orbitals. Here, we focus on the study of normal state electronic properties, in particular the temperature and doping dependence of the total density of states, $A(\omega)$, and of $A(\vec{k},\o…
Simultaneous determination of carrier lifetime and electron density-of-states in P3HT:PCBM organic solar cells under illumination by impedance spectr…
2010
We report new insights into recombination kinetics in poly(3-hexylthiophene):methanofullerene (P3HT:PCBM) bulk heterojunction (BHJ) solar cells, based on simultaneous determination of the density of states (DOS), internal recombination resistance, and carrier lifetime, at different steady states, by impedance spectroscopy. A set of measurements at open circuit under illumination was performed aiming to better understand the limitations to the photovoltage, which in this class of solar cells remains far below the theoretical limit which is the difference between the LUMO level of PCBM and the HOMO of P3HT (∼1.1 eV). Recombination kinetics follows a bimolecular law, being the recombination ti…
Revealing the Electronic Structure and Optical Properties of CuFeO2 as a p-Type Oxide Semiconductor
2021
Delafossite CuFeO2 is a p-type oxide semiconductor with a band gap of ∼1.5 eV, which has attracted great interests for applications in solar energy harvesting and oxide electronics. However, there are still some discrepancies in the literature regarding its fundamental electronic structure and transport properties. In this paper, we use a synergistic combination of resonant photoemission spectroscopy and X-ray absorption spectroscopy to directly study the electronic structure of well-defined CuFeO2 epitaxial thin films. Our detailed study reveals that CuFeO2 has an indirect and d-d forbidden band gap of 1.5 eV. The top of the valence band (VB) of CuFeO2 mainly consists of occupied Fe 3d sta…
Influence of Compensating Defect Formation on the Doping Efficiency and Thermoelectric Properties of Cu2-ySe1–xBrx
2015
The superionic conductor Cu_(2−δ)Se has been shown to be a promising thermoelectric at higher temperatures because of very low lattice thermal conductivities, attributed to the liquid-like mobility of copper ions in the superionic phase. In this work, we present the potential of copper selenide to achieve a high figure of merit at room temperature, if the intrinsically high hole carrier concentration can be reduced. Using bromine as a dopant, we show that reducing the charge carrier concentration in Cu_(2−δ)Se is in fact possible. Furthermore, we provide profound insight into the complex defect chemistry of bromine doped Cu_(2−δ)Se via various analytical methods and investigate the conseque…
Investigation of amorphous oxide film-electrolyte junctions by AC techniques
1992
Current AC (alternating current) techniques are used often to characterize the energetics at a semiconducting solid phase/electrolyte interface. For thin layers having a strongly disordered or amorphous structure (such as oxide-passive layers anodically grown on valve metals), interpretative models currently used for crystalline semiconductors may produce misleading data. A new interpretation of the admittance data, based on recent models for amorphous semiconductors (a-Sc) Schottky barriers, is presented for passive films of Nb, W and Ti. The physical bases of the model are presented as well as its advantages and disadvantages. The new theory views the solid/electrolyte interface more sati…
A minimal tight-binding model for the quasi-one-dimensional superconductor K2Cr3As3
2019
We present a systematic derivation of a minimal five-band tight-binding model for the description of the electronic structure of the recently discovered quasi one-dimensional superconductor K2Cr3As3. Taking as a reference the density-functional theory (DFT) calculation, we use the outcome of a Lowdin procedure to refine a Wannier projection and fully exploit the predominant weight at the Fermi level of the states having the same symmetry of the crystal structure. Such states are described in terms of five atomic-like d orbitals: four planar orbitals, two dxy and two dx2-y2, and a single out-of-plane one, dz2 . We show that this minimal model reproduces with great accuracy the DFT band struc…
Reversible Photochemical Control of Doping Levels in Supported Graphene
2017
Controlling the type and density of charge carriers in graphene is vital for a wide range of applications of this material in electronics and optoelectronics. To date, chemical doping and electrostatic gating have served as the two most established means to manipulate the carrier density in graphene. Although highly effective, these two approaches require sophisticated graphene growth or complex device fabrication processes to achieve both the desired nature and the doping densities with generally limited dynamic tunability and spatial control. Here, we report a convenient and tunable optical approach to tune the steady-state carrier density and Fermi energy in graphene by photochemically c…
On the shell structure and geometry of monovalent metal clusters
1991
The Huckel model is used to study the electronic structure of monovalent metal clusters. In an fcc cluster the Huckel model gives an estimate to the electronic structure of a free electron cluster. It is shown that the surface faceting of the fcc cluster can destroy the electronic shell structure already when the cluster has about 100 electrons. In the Huckel model the icosahedral structure has smaller total energy than the fcc structures, from which the Wulff construction has the smallest energy already when the cluster has 600 atoms.
Edge-dependent selection rules in magic triangular graphene flakes
2008
The electronic shell and supershell structure of triangular graphene quantum dots has been studied using density functional and tight-binding methods. The density functional calculations demonstrate that the electronic structure close to the Fermi energy is correctly described with a simple tight-binding model, where only the ${p}_{z}$ orbitals perpendicular to the graphene layer are included. The results show that (i) both at the bottom and at the top of the ${p}_{z}$ band, a supershell structure similar to that of free electrons confined in a triangular cavity is seen, (ii) close to the Fermi level, the shell structure is that of free massless particles, (iii) triangles with armchair edge…
Multidimensional photoemission spectroscopy—the space-charge limit
2018
New journal of physics 20(3), 033004 - (2018). doi:10.1088/1367-2630/aaa262