Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1813397 | Physica B: Condensed Matter | 2009 | 4 Pages |
Abstract
This paper summarizes the 'first-principles' calculations of the vibrational properties of impurities, which are critical to the optical identification of defects. The issue of temperature control for non-equilibrium molecular dynamics (NEMD) is discussed. Applications of NEMD include the calculations of the temperature-dependence of vibrational lifetimes and of the thermal conductivity of semiconductors as a function of their impurity content.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
S.K. Estreicher, D. Backlund, T.M. Gibbons,