The geometry and electronic structure of copper-based p-type delafossite transparent conducting oxides, CuMO(2) (M = In, Ga, Sc), are studied using the generalized gradient approximation (GGA) corrected for on-site Coulomb interactions (GGA + U). The bonding and valence band compositions of these materials are investigated, and the origins of changes in the valence band features between group 3...

Soft x-ray photoelectron spectroscopy with synchrotron radiation was employed to study the valence-band offsets for the HfO2 /SiO2 /Si and HfO2 /SiOxNy /Si systems. We obtained a valence-band offset difference of 21.0560.1 eV between HfO2 ~in HfO2/15 Å SiO2 /Si! and SiO2 ~in 15 Å SiO2 /Si!. There is no measurable difference between the HfO2 valence-band maximum positions of the HfO2/10 Å SiOxNy...

Introduction To extract and combine information from different modalities, fusion techniques are commonly applied to promote system performance. In this study, we aimed to examine the effectiveness of fusion techniques in emotion recognition. Materials and Methods Electrocardiogram (ECG) and galvanic skin responses (GSR) of 11 healthy female students (mean age: 22.73±1.68 years) were collected ...

Defects in the band gap of CuIn12xGaxSe2 have been characterized using transient photocapacitance spectroscopy. The measured spectra clearly show response from a band of defects centered around 0.8 eV from the valence band edge as well as an exponential distribution of band tail states. Despite Ga contents ranging from Ga/(In1Ga)50.0 to 0.8, the defect bandwidth and its position relative to the...

We report valence and conduction band densities of states measured via ultraviolet and inverse photoemission spectroscopies on three metal halide perovskites, specifically methylammonium lead iodide and bromide and cesium lead bromide (MAPbI3, MAPbBr3, CsPbBr3), grown at two different institutions on different substrates. These are compared with theoretical densities of states (DOS) calculated ...

The AlN/SiC band discontinuities in zinc-blende ~110!, ~111!, and wurtzite ~0001! heterostructures were examined using the ab initio pseudopotential approach. At the nonpolar AlN/SiC~110! junction, we find a valence-band offset of 1.7 eV. At the polar heterojunctions the band alignment depends on the interface composition, and valence-band offsets as high as 2.5 eV are obtained for neutral inte...

We have carried out a bulk-sensitive high-resolution photoemission experiment on Mn5Si3. The measurements are performed for both core level and valence band states. The Mn core level spectra are deconvoluted into two components corresponding to different crystallographic sites. The asymmetry of each component is of noticeable magnitude. In contrast, the Si 2p spectrum shows a simple Lorentzian ...

We investigate gallium and nitrogen vacancies in gallium nitride (GaN) bulk and nanowires using self-interaction corrected pseudopotentials (SIC). In particular, we examine the band structures to compare and contrast differences between the SIC results and standard density functional theory (DFT) results using a generalized gradient approximation (GGA) (Perdew et al 1996 Phys. Rev. Lett. 77 386...

To investigate the hole transport across amorphous/crystalline silicon heterojunctions, solar cells with varying band offsets were fabricated using amorphous silicon suboxide films. The suboxides enable good passivation if covered by a doped amorphous silicon layer. Increasing valence band offsets yield rising hole transport barriers and reduced device effciencies. Carrier transport by thermal ...

The electronic structure of a large ~4096 atom! and realistic model of amorphous diamond is studied. The density of states and the individual eigenstates in the valence-band tail and midgap region are computed with two ‘‘order-N’’ spectral electronic-structure methods: the maximum entropy method and the shifted Lanczos method. We observe approximately exponential band tails at both valenceand c...