Dresden 2014 – scientific programme
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CPP: Fachverband Chemische Physik und Polymerphysik
CPP 32: Glasses (original: DF, joined by CPP, DY)
CPP 32.1: Talk
Wednesday, April 2, 2014, 11:45–12:05, WIL B321
Two-level tunneling systems in amorphous alumina — Alejandro P. Paz1, •Irina V. Lebedeva1, Ilya V. Tokatly1,2, and Angel Rubio1,3,4 — 1Nano-bio Spectroscopy Group, Universidad del Pais Vasco, San Sebastian, Spain — 2IKERBASQUE, Bilbao, Spain — 3Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany — 4European Theoretical Spectroscopy Facility
The decades of research on thermal properties of amorphous solids at temperatures below 1 K suggest that their anomalous behaviour can be related to quantum mechanical tunneling of atoms between two nearly equivalent states that can be described as a two-level system (TLS) [1]. This theory is also supported by recent studies on microwave spectroscopy of superconducting qubits [1]. However, the microscopic nature of TLSs remains unknown. To identify bistable structural motifs in amorphous alumina we have performed extensive classical molecular dynamics simulations. Several motifs with only one or two atoms jumping by considerable distance ∼ 0.5 Å were found at temperature 25 K. Accounting for the surrounding environment relaxation was shown to be important up to distances ∼ 7 Å. The energy asymmetry and barrier for the detected motifs lied in the ranges 0.5 - 2 meV and 4 - 15 meV, respectively, while their density was about 1 motif per 10000 atoms. Tuning of motif asymmetry by strain was demonstrated with the coupling coefficient below 1 eV. The tunnel splitting for the symmetrized motifs was estimated on the order of 0.1 meV. The properties of the discovered motifs are in good agreement with the available experimental data. [1] G. J. Grabovskij et al. Science 338, 232 (2012).