Bereiche | Tage | Auswahl | Suche | Aktualisierungen | Downloads | Hilfe

TT: Fachverband Tiefe Temperaturen

TT 42: Superconductivity: Fabrication, Properties, Electronic Structure

TT 42.3: Vortrag

Donnerstag, 29. März 2012, 15:30–15:45, H 3005

Vibrational and Thermal Properties of ZnX (X=S, Se, Te): Density Functional Theory versus Experiment — •Reinhard K. Kremer¹, Manuel Cardona¹, Robert Lauck¹, Gisela Siegle¹, Aldo H. Romero², and Alexander Schindler³ — ¹Max-Planck-Institut für Festkörperforschung, Heisenbergstrasse 1, D-70569 Stuttgart, Germany — ²Departamento de Materiales, Unidad Querétaro, CINVESTAV, Querétaro 76230, Mexico — ³NETZSCH-Gerätebau GmbH, Wittelsbacherstrasse 42, D-95100 Selb, Germany

We calculated the phonon dispersion relations of ZnX (X=S, Se, Te) employing up-to-date ab initio codes. The dispersion relations have been used to evaluate the temperature dependence of the respective specific heats of crystals with varied isotopic compositions. These results are compared with measurements performed on crystals down to 2 K. The calculated and measured data are generally in excellent agreement. Trends in the phonon dispersion relations and the corresponding densities of states for the zinc chalcogenide series of zincblende type materials are discussed.