The Lorentz oscillator model is well-known for its effectiveness to describe the far infrared optical properties of ionic materials. The parameters including oscillator strength and damping factor in the model are usually obtained by fitting to experimental results. In this paper, a new method, based on static and dynamic first-principle simulations, is developed to parameterize the Lorentz oscillator model with the initial atomic structure as the only input parameter. This method is then applied to predict the far infrared reflectance of GaAs, which shows excellent agreement with experimental measurements.
Far Infrared Thermal Radiative Properties of Polar Materials From First-Principle Simulations
- Views Icon Views
- Share Icon Share
- Search Site
Bao, H, Qiu, B, Ruan, X, & Zhang, Y. "Far Infrared Thermal Radiative Properties of Polar Materials From First-Principle Simulations." Proceedings of the ASME 2011 International Mechanical Engineering Congress and Exposition. Volume 10: Heat and Mass Transport Processes, Parts A and B. Denver, Colorado, USA. November 11–17, 2011. pp. 327-331. ASME. https://doi.org/10.1115/IMECE2011-63959
Download citation file: