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Published on: June 28, 2017
Optical properties of liquid pure copper by density functional theory
Susumu Kato1, Shota Ono2, Atsushi Sunahara3
1Research Institute for Advanced Electronics and Photonics, National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba 305-8568, Japan.
Abstract:
The optical properties of pure liquid copper were investigated using density functional theory with the Quantum ESPRESSO package. The effects of structural changes were investigated by comparing the electron density of states and imaginary part of the dielectric function between the crystalline and liquid states with densities near the melting point. The results indicated that the effect of interband transitions remains in the structural changes near the melting point.
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