Redox Levels through Constant Fermi-Level ab Initio Molecular Dynamics
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We use thermal diffuse scattering of x rays to visualize the lens-shaped portions of the Fermi surface in metallic zinc. Our interpretation of the nature of the observed scattered intensity anomalies is supported by the incorporation of inelastic x-ray sca ...
We investigate quantum interference in the transport properties of porphyrin-based molecular devices, and are able to develop a minimal but qualitatively accurate model of conductance based on the maximally localized Wannier functions of just the isolated ...
We report measurements of Shubnikov-de Haas oscillations in the giant Rashba semiconductor BiTeI under applied pressures up to similar to 2GPa. We observe one high frequency oscillation at all pressures and one low frequency oscillation that emerges betwee ...
Local density fluctuations and density profiles of a Fermi gas are measured in situ and analyzed. In the quantum degenerate regime, the weakly interacting 6Li gas shows a suppression of the density fluctuations compared to the nondegenerate case, where ato ...
By means of high-resolution angle-resolved photoelectron spectroscopy (ARPES), we have studied the fermiology of 2H transition metal dichalcogenide polytypes TaSe2, NbSe2 and Cu0.2NbS2. The tight-binding model of the electronic structure, extracted from AR ...
We have used first-principles calculations to investigate the mixing enthalpies, lattice parameters and electronic density of states of the ternary nitride systems Ti1-xAlxN, Cr1-xAlxN, Sc1-xAlxN and Hf1-xAlxN in the cubic B1 structure where the transition ...
A review is given of recent angle-resolved photoemission (ARPES) experiments and analyses on a series of layered charge density wave materials. Important aspects of ARPES are recalled in view of its capability for bulk band, Fermi surface and spectral func ...
The redox properties of metallic nanoparticles are discussed, in particular the relationships between excess charge, size and the Fermi level of the electrons. The redox potentials are derived using simple electrostatic models to provide a straightforward ...
We report on the epitaxial fabrication and electronic properties of a topological phase in strained alpha-Sn on InSb. The topological surface state forms in the presence of an unusual band order not based on direct spin-orbit coupling, as shown in density ...
A systematic angle-resolved photoemission study of the electronic structure of La2-xSrxCuO4 in a wide doping range is presented in this paper. In addition to the main energy band, we observed a weaker additional band, the (pi, pi) folded band, which shows ...