Light atom quantum oscillations in UC and US
arXiv:1508.00930 · doi:10.1103/PhysRevB.93.014306
Abstract
High energy vibrational scattering in the binary systems UC and US is measured using time-of-flight inelastic neutron scattering. A clear set of well-defined peaks equally separated in energy is observed in UC, corresponding to harmonic oscillations of the light C atoms in a cage of heavy U atoms. The scattering is much weaker in US and only a few oscillator peaks are visible. We show how the difference between the materials can be understood by considering the neutron scattering lengths and masses of the lighter atoms. Monte Carlo ray tracing is used to simulate the scattering, with near quantitative agreement with the data in UC, and some differences with US. The possibility of observing anharmonicity and anisotropy in the potentials of the light atoms is investigated in UC. Overall the observed data is well accounted for by considering each light atom as a single atom isotropic quantum harmonic oscillator.
10 pages, 8 figures
References in corpus (4)
- Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
- Electronic Correlation and Transport Properties of Nuclear Fuel Materials
- MCViNE -- An object oriented Monte Carlo neutron ray tracing simulation package
- Quantum oscillations of nitrogen atoms in uranium nitride