Abstract:Cubic InN layers were grown by plasma assisted molecular beam epitaxy on 3C-SiC (001) substrates at growth temperatures from 419to490°C. X-ray diffraction investigations show that the layers have zinc blende structure with only a small fraction of wurtzite phase inclusions on the (111) facets of the cubic layer. The full width at half maximum of the c-InN (002) x-ray rocking curve is less than 50arcmin. The lattice constant is 5.01±0.01Å. Low temperature photoluminescence measurements yield a c-InN band gap of… Show more
“…The LDA-BZW results that also agree well with experiment are shown in Table I. In particular, the LDA-BZW predictions of 5.017 Å and 0.65 eV for the equilibrium lattice constant and the band gap of c-InN have recently been corroborated by Schörmann et al 9 who found 5.01Ϯ 0.01 Å and 0.61 eV for these quantities, respectively. As summarized elsewhere, 7 the density fuctional theory ͑DFT͒-BZW calculations are totally ab initio and selfconsistent.…”
Some previous density functional theory (DFT) calculations of the band gap of wurtzite and cubic InN, before the work of Lee and Wang [J. Appl. Phys. 100, 093717 (2006)], are in agreement with the screened-exchange findings of these authors and with experiment. These previous findings point to an intrinsic capability of DFT, in the local density approximation, to correctly describe the band gap of semiconductors. These comments also discuss some recent results [Phys. Rev. B 76, 037101 (2007)] on an extensive hybridization of the In 4d and N 2s bands that is lost when the d electrons are included in the core. Our discussions in these comments indicate that when the two inherently coupled equations of DFT are both solved self-consistently, the resulting bands, including low-lying conduction ones, appear to have much more physics content than previously believed.
“…The LDA-BZW results that also agree well with experiment are shown in Table I. In particular, the LDA-BZW predictions of 5.017 Å and 0.65 eV for the equilibrium lattice constant and the band gap of c-InN have recently been corroborated by Schörmann et al 9 who found 5.01Ϯ 0.01 Å and 0.61 eV for these quantities, respectively. As summarized elsewhere, 7 the density fuctional theory ͑DFT͒-BZW calculations are totally ab initio and selfconsistent.…”
Some previous density functional theory (DFT) calculations of the band gap of wurtzite and cubic InN, before the work of Lee and Wang [J. Appl. Phys. 100, 093717 (2006)], are in agreement with the screened-exchange findings of these authors and with experiment. These previous findings point to an intrinsic capability of DFT, in the local density approximation, to correctly describe the band gap of semiconductors. These comments also discuss some recent results [Phys. Rev. B 76, 037101 (2007)] on an extensive hybridization of the In 4d and N 2s bands that is lost when the d electrons are included in the core. Our discussions in these comments indicate that when the two inherently coupled equations of DFT are both solved self-consistently, the resulting bands, including low-lying conduction ones, appear to have much more physics content than previously believed.
“…(zinc blende) or 0.71 eV (wurtzite) in extremely good agreement with measured values [53,57,[68][69][70][71]. In general, the improvement results from the good performance of the HSE03 starting point for materials that comprise d-electrons such as GaAs, CdS, GaN, ZnO, and ZnS, for which the mean absolute relative error of the HSE03 + 0 0 G W gaps is calculated to be 7.9%, while it is about 12.2% in the GGA + 0 0 G W approach.…”
Section: Quasiparticle Shiftssupporting
confidence: 72%
“…The HSE03 + 0 0 G W gaps approach recent measured values of 0.70 ± 0.05 eV for wurtzite [81] and 0.6 eV for zinc-blende [53,82] InN. The CBM at Γ is much lower in energy than the conduction-band edges at other points in k-space.…”
Section: γ (T ) γ (A )supporting
confidence: 51%
“…by means of molecular beam epitaxy [53]. Their quasiparticle band structures and densities of states are given in Figs.…”
Organic fluorescent molecules are infiltrated in the channels of zeolite L nanocrystals, thus creating organic–inorganic fluorescent nanoparticles. Combined with dielectric matrices, these fluorescent nanopigments open the way to the realization of novel optical devices. In this paper, the optical measurement of the quantum yield of fluorescent zeolites by means of a precise and reliable diffuse reflectance technique is presented. Several possible factors that may affect the fluorescence quantum yield are also investigated.
“…The ͑001͒ zinc-blende sample was grown on an ͑001͒ 3C-SiC substrate incorporating a zinc-blende GaN buffer layer, resulting in an estimated 95% zinc-blende phase InN. 9 Details of the various growth methods are reported elsewhere. [9][10][11][12] The x-ray photoemission spectroscopy ͑XPS͒ measurements were performed at room temperature using a Scienta ESCA300 spectrometer at the National Centre for Electron Spectroscopy and Surface Analysis, Daresbury Laboratory, UK.…”
Electron accumulation is found to occur at the surface of wurtzite ͑1120͒, ͑0001͒, and ͑0001͒ and zinc-blende ͑001͒ InN using x-ray photoemission spectroscopy. The accumulation is shown to be a universal feature of InN surfaces. This is due to the low ⌫-point conduction band minimum lying significantly below the charge neutrality level.
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