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4 papers · 2 filters
Low-temperature anharmonicity of barium titanate: a path-integral molecular dynamics study
Gregory Geneste, Hichem Dammak, Marc Hayoun +1
We investigate the influence of quantum effects on the dielectric and piezoelectric properties of barium titanate in its (low-temperature) rhombohedral phase, and show the strongly…
Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation
David Kammerlander, Silvana Botti, Miguel A. L. Marques +2
The Bethe-Salpeter equation is a widely used approach to describe optical excitations in bulk semiconductors. It leads to spectra that are in very good agreement with experiment, b…
Giant Anisotropy of Spin-Orbit Splitting at the Bismuth Surface
Y. Ohtsubo, J. Mauchain, J. Faure +6
We investigate the bismuth (111) surface by means of time and angle resolved photoelectron spectroscopy. The parallel detection of the surface states below and above the Fermi leve…
Low-energy silicon allotropes with strong absorption in the visible for photovoltaic applications
Silvana Botti, José A. Flores-Livas, Maximilian Amsler +2
We present state-of-the-art first-principle calculations of the electronic and optical properties of silicon allotropes with interesting characteristics for applications in thin-fi…