Search results for "Band structure"
showing 10 items of 215 documents
Pressure dependence of the refractive index in wurtzite and rocksalt indium nitride
2014
We have performed high-pressure Fourier transform infrared reflectance measurements on a freestanding InN thin film to determine the refractive index of wurtzite InN and its high-pressure rocksalt phase as a function of hydrostatic pressure. From a fit to the experimental refractive-index curves including the effect of the high-energy optical gaps, phonons, free carriers, and the direct (fundamental) band-gap in the case of wurtzite InN, we obtain pressure coefficients for the lowfrequency (electronic) dielectric constant e1 . Negative pressure coefficients of -8.8 × 10-2 GPa-1 and -14.8 × 10-2 GPa-1 are obtained for the wurtzite and rocksalt phases, respectively. The results are discussed …
Differences and Similarities between the Isotypic AntimonidesMFe1−xSb, ScCo1−xSb, andMNiSb (M=Zr, Hf)
1999
The new antimonides MFe{sub 1{minus}x}Sb can be synthesized by arc-melting of M, Fe, and MSb{sub 2} (M = Zr, Hf). All title compounds crystallize in the TiNiSi structure type (space group Pnma, Z = 4). The lattice parameters of the new phases of MFe{sub 1{minus}x}Sb, as obtained from the bulk samples of the nominal compositions MFeSb, are a = 681.4(1) pm, b = 417.87(7) pm, c = 740.3(1) pm for ZrFe{sub 1{minus}x}Sb and a = 674.0(1) pm, b = 412.0(2) pm, c = 729.7(2) pm for HfFe{sub 1{minus}x}Sb. Under the reaction conditions used, the occupancy factors of the iron position content of ZrFe{sub 1{minus}x}Sb does not exceed 68(1)% (i.e., x = 0.32(1)). Extended Hueckel calculations, performed on …
Direct observation of half-metallicity in the Heusler compound $Co_{2}MnSi$
2014
Ferromagnetic thin films of Heusler compounds are highly relevant for spintronic applications owing to their predicted half-metallicity, that is, 100% spin polarization at the Fermi energy. However, experimental evidence for this property is scarce. Here we investigate epitaxial thin films of the compound Co2MnSi in situ by ultraviolet-photoemission spectroscopy, taking advantage of a novel multi-channel spin filter. By this surface sensitive method, an exceptionally large spin polarization of () % at room temperature is observed directly. As a more bulk sensitive method, additional ex situ spin-integrated high energy X-ray photoemission spectroscopy experiments are performed. All experimen…
Near band edge and defect emissions in wurtzite Cd0.025Mg0.10Zn0.875O nanocrystals
2021
Abstract We report on near band edge and local defects emissions in Cd0·025Mg0·10Zn0·875O (CdMgZnO) nanoparticles (NPs) as a function of temperature, where a strong temperature-dependent near-infrared emission around 1.7 eV (~730 nm) has been observed. The NPs were synthesized by a modified sol-gel method and were annealed at 750 °C after growing. The crystallographic parameters have been determined by 2-dimensional synchrotron x-ray diffraction (XRD) and conventional XRD analysis, confirming their growth within the wurtzite phase with a preferred orientation along the (101) plane and an apparent crystallite size of 52.72 ± 0.18 nm. This apparent crystallite size is consistent with the near…
<title>New aspect of light emission from silicon nanocrystals</title>
2003
Intensive light emission (photoluminescence) from silicon nanocrystals has been interpreted in literature as recombinative emission. It has been supposed that the band structure is "pseidodirect." The literature analysis presented in our paper shows that the band structure is indirect and therefore intensive recombinative emission is not possible. According to new aspect, a part of electrons reaches the second conduction subband due to Auger recombination. Then the intensive visible radiation could be caused by transitions of these electrons from the second to the first conduction subband. We have constructed continuity equations for the electron concentration in the first and the second co…
Stiffer, Stronger and Centrosymmetrical Class of Pentamodal Mechanical Metamaterials
2019
Pentamode metamaterials have been used as a crucial element to achieve elastical unfeelability cloaking devices. They are seen as potentially fragile and not simple for integration in anisotropic structures due to a non-centrosymmetric crystalline structure. Here, we introduce a new class of pentamode metamaterial with centrosymmetry, which shows better performances regarding stiffness, toughness, stability and size dependence. The phonon band structure is calculated based on the finite element method, and the pentamodal properties are evaluated by analyzing the single band gap and the ratio of bulk and shear modulus. The Poisson&rsquo
Ab initio LCAO study of the atomic, electronic and magnetic structures and the lattice dynamics of triclinic CuWO4
2013
Abstract The electronic, structural and phonon properties of antiferromagnetic triclinic CuWO 4 have been studied using the first-principles spin-polarized linear combination of atomic orbital (LCAO) calculations based on the hybrid exchange–correlation density functional (DFT)/Hartree–Fock (HF) scheme. In addition, the local atomic structure around both Cu and W atoms has been probed using extended X-ray absorption fine structure (EXAFS) spectroscopy. We show that, by using the hybrid DFT–HF functional, one can accurately and simultaneously describe the atomic structure (the unit cell parameters and the atomic fractional coordinates), the band gap and the phonon frequencies. In agreement w…
Ab initio calculations of indium arsenide in the wurtzite phase: structural, electronic and optical properties
2013
Most III-V semiconductors, which acquire the zinc-blende phase as bulk materials, adopt the metastable wurtzite phase when grown in the form of nanowires. These are new semiconductors with new optical properties, in particular, a different electronic band gap when compared with that grown in the zinc-blende phase. The electronic gap of wurtzite InAs at the Gamma-point of the Brillouin zone (E0 gap) has been recently measured, E0 = 0.46 eV at low temperature. The electronic gap at the A point of the Brillouin zone (equivalent to the L point in the zinc-blende structure, E1) has also been obtained recently based on a resonant Raman scattering experiment. In this work, we calculate the band st…
Improved Cu2O/AZO Heterojunction by Inserting a Thin ZnO Interlayer Grown by Pulsed Laser Deposition
2019
Cu2O/ZnO:Al (AZO) and Cu2O/ZnO/AZO heterojunctions have been deposited on glass substrates by a unique three-step pulsed laser deposition process. The structural, optical, and electrical properties of the oxide films were investigated before their implementation in the final device. X-ray diffraction analysis indicated that the materials were highly crystallized along the c-axis. All films were highly transparent in the visible region with enhanced electrical properties. Atomic force and scanning electron microscopies showed that the insertion of a ZnO layer between the Cu2O and AZO films in the heterojunction enhanced the average grain size and surface roughness. The heterojunctions exhibi…
Momentum and energy dissipation of hot electrons in a Pb/Ag(111) quantum well system
2021
The band structure of multilayer systems plays a crucial role for the ultrafast hot carrier dynamics at interfaces. Here, we study the energy- and momentum-dependent quasiparticle lifetimes of excited electrons in a highly ordered Pb monolayer film on Ag(111) prior and after the adsorption of a monolayer of 3,4,9,10-perylene-tetracarboxylic dianhydride (PTCDA). Using time-resolved two-photon momentum microscopy with femtosecond visible light pulses, we show that the electron dynamics of the Pb/Ag(111) quantum well system is largely dominated by two types of scattering processes: (i) isotropic intraband scattering processes within the quantum well state (QWS) and (ii) isotropic interband sca…