期刊
JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER
卷 141, 期 -, 页码 24-30出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.jqsrt.2014.02.026
关键词
Germanium; Dielectric function; Radiative property; Temperature dependence; First-principles
资金
- National Natural Science Foundation of China [51336002, 51076038, 51121004]
- Program for Changjiang Scholars and Innovative Research Team in University [IRT0914]
The study of temperature dependence of thermophysical parameter dielectric function is key to understanding thermal radiative transfer in high-temperature environments. Limited by self-radiation and thermal oxidation, however, it is difficult to directly measure the high-temperature dielectric function of solids with present experimental technologies. In this work, we implement two first-principles methods, the ab initio molecular dynamics (AIMD) and density functional perturbation theory (DFPT), to study the temperature dependence of dielectric function of germanium (Ge) in the UV-vis spectral range in order to provide data of high-temperature dielectric function for radiative transfer study in high-temperature environments. Both the two methods successfully predict the temperature dependence of dielectric function of Ge. Moreover, the good agreement between the calculated results of the AIMD approach and experimental data at 825 K enables us to predict the high-temperature dielectric function of Ge with the AIMD method in the UV-vis spectral range. (c) 2014 Elsevier Ltd. All rights reserved.
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