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We introduce a theoretical scheme to study defect energy levels and band alignments at semiconductor-oxide interfaces. The scheme relies on hybrid functionals to overcome the band gap underestimation typically achieved with semilocal density functionals. F ...
The application of pressure to elemental bismuth reduces its conduction-valence band overlap, and results in a semimetal-semiconductor (SMSC) transition around 25 kbar. This transition is nominally of the topological "Lifshitz'' Fermi surface variety, but ...
Semiconductor quantum dots are usually compared to artificial atoms, because their electronic structure consists of discrete energy levels as for natural atoms. These artificial systems are integrated in solid materials and can be localized with a spatial ...
Hematite is a semiconducting mineral with a role in natural photoelectrochemical processes, and has been studied from the viewpoint of solar energy utilization. Hematite is an anisotropic conductor, with faster conduction parallel to (001) planes. Flatband ...
We present angle-resolved photoemission experiments on 1T-TiSe2 at temperatures ranging from 13K to 288K. The data evidence a dramatic renormalization of the conduction band below 100K, whose origin can be related to the new potential responsible for the c ...
The CaCu3Ti4O12 (CCTO) thin films were deposited on Pt/TiO2/Ti/SiO2/Si (100) substrates by pulsed laser deposition. The temperature dependences of dielectric constant were measured in the as-produced thin film samples, showing the so-called colossal dielec ...
We introduce a scheme for the calculation of band offsets and defect energy levels at semiconductor-oxide interfaces. Our scheme is based on the use of realistic atomistic models of the interface structure and of hybrid functionals for the evaluation of th ...
The underlying physical mechanism of the so-called colossal dielectric constant phenomenon in CaCu3Ti4O12 CCTO thin films were investigated by using semiconductor theories and methods. The semiconductivity of CCTO thin films originated from the acceptor de ...
In this thesis, the electronic structures of low-dimensional carbon allotropes have been studied. In particular, the spatially-resolved photocurrent responses of devices comprising carbon nanostructures were investigated through scanning photocurrent micro ...
In-source photocatalytic redox reactions based on a photosensitive target plate have been developed to realize peptide fragmentation during laser desorption ionization. Sample peptides and glucose are simply deposited on a spot of sintered TiO2 nanoparticl ...