Distant and intense electronic communication between two amine sites through a porphyrin pi-spacer was quantified with inter-valence charge transfer (IVCT) band analyses.

Density functional theory has been applied to a study of the electronic structure of the ideally-terminated, relaxed and H-saturated (0001) surfaces of b-Si3N4 and to that of the bulk material. For the bulk, the lattice constants and atom positions and the valence band density of states are all in good agreement with experimental results. A band gap of 6.7 eV is found which is in fair accord wi...

We revisit the fundamental constraints that apply to flat band potential values at semiconductor photo-electrodes. On the physical scale, the Fermi level energy of a non-degenerate semiconductor at the flat band condition, EF(FB), is constrained to a position between the conduction band, EC, and the valence band, EV,: |EC| < |EF(FB)| < |EV| throughout the depth of the semiconductor. The same co...

GaSb inversion-mode PMOSFETs with atomiclayer-deposited (ALD) Al2O3 as gate dielectric are demonstrated. A 0.75-μm-gate-length device has a maximum drain current of 70 mA/mm, a transconductance of 26 mS/mm, and a hole inversion mobility of 200 cm/V · s. The OFF-state performance is improved by reducing the ALD growth temperature from 300 ◦C to 200 ◦C. The measured interface trap distribution sh...

We study the electronic structure of black phosphorus by combining state-of-the-art density functional theory, multiple scattering calculations and electron energy loss spectroscopy. The hybrid functionals HSE03 and PBE0 are tested to investigate whether they give an improved description compared to the more traditional PZ-LDA and PBE-GGA functionals. These calculations are compared with invest...

The effect of the complex valence-band Landau-level ~LL! structure on the fractional quantum Hall ~FQH! effect of a two-dimensional hole system has been studied in a modulation-doped quantum well ~QW! with front and back gates. Owing to the spin-orbit interaction and the band mixing in the valence band, changing the potential asymmetry of the QW with the front and back gates allows us to vary t...

We utilized a thermal radiation method to synthesize semiconducting hollow ZnO nanoballoons and metal-semiconductor concentric solid Zn/ZnO nanospheres from metallic solid Zn nanospheres. The chemical properties, crystalline structures, and photoluminescence mechanisms for the metallic solid Zn nanospheres, semiconducting hollow ZnO nanoballoons, and metal-semiconductor concentric solid Zn/ZnO ...

To investigate whether self-reflection on personality traits engages distinct neural mechanisms of self-related attentional orientation and self-related evaluation, we recorded electroencephalograms from adults while they made trait judgments about themselves and an age- and gender-matched friend, or judgments of word valence. Each trial consisted of a cue word that indicated a target person fo...

We present ab initio calculations of uniaxial absolute deformation potentials of the valence and the conduction bands in monolayer MoS2, MoSe2, WS2, WSe2, h-BN, and phosphorene. Calculations are performed using both semilocal and hybrid functionals. The absolute positions of the band edges in strained and unstrained materials are determined using the vacuum level as reference. For WSe2, we comp...