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Gernot Deinzer

International School for Advanced Studies

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Featured researches published by Gernot Deinzer.

Archive | 2005

Density-functional Calculation of Structural Properties in Ionic and Semiconductor Crystals

Karin Schmalzl; Gernot Deinzer; Michael Malorny; D. Strauch

We compare the results of different ab-initio density-functional methods (Wien97, VASP, ABINIT, PWscf) and approximations for the electronic, structural, and dynamical properties of a variety of single crystals, namely the ionic conductors CaF2, BaF2, ZrO2, and LaF3, and the semiconductors CdS and CdSe. In particular, we have ported the PWscf code to the Hitachi computer. These results are basic for the more extensive and current calculations of the static and lattice-dynamical properties of these systems as well as of systems like ZrO2−δ and mixed-crystal systems like CdSxSe1−x . We also report preliminary neutron scattering data at various temperatures for the structure of LaF3.

Physical Review B | 2009

Ab initio theory of the lattice thermal conductivity in diamond

Alister Ward; David Broido; Derek A. Stewart; Gernot Deinzer

Physical Review B | 2003

Ab initio calculation of the linewidth of various phonon modes in germanium and silicon

Gernot Deinzer; Gerd Birner; D. Strauch

Physical Review B | 2002

Raman tensor calculated from the 2n+1 theorem in density-functional theory

Gernot Deinzer; D. Strauch

Archive | 2014

Datasets on fee-based Open Access publishing across German Institutions

Gernot Deinzer; Najko Jahn; Ulrich Herb; Adriana Sikora; Astrid Vieler; Anja Oberländer; Doris Jaeger; Marco Tullney; Kai Geschuhn; Michael Schlachter; Claudia Frick; Frank Lützenkirchen; Dirk Pieper; Vitali Peil

Physical Review B | 2004

Intrinsic lifetimes and anharmonic frequency shifts of long-wavelength optical phonons in polar crystals

Gernot Deinzer; Michael Schmitt; Andreas P. Mayer; D. Strauch

Physical Review B | 2004

Two-phonon infrared absorption spectra of germanium and silicon calculated from first principles

Gernot Deinzer; D. Strauch

Archive | 2015

Positions on creating an Open Access publication market which is scholarly adequate : Positions of the Ad Hoc Working Group Open Access Gold in the priority initiative 'Digital Information' of the Alliance of Science Organisations in Germany

Christoph Bruch; Kristine Hillenkötter; Heinz Pampel; Ursula Stanek; Hildegard Schäffler; Ulrike Kreß; Alexander Wagner; Kai Geschuhn; Petra Hätscher; Arnulf Timm; Gernot Deinzer

Bibliometrie - Praxis und Forschung | 2012