Fan Zheng, John A. Brehm, Steve M. Young, Youngkuk Kim, and Andrew M. Rappe, Phys. Rev. B 93, 195210 (2016)
(a) Optical dielectric functions under different compressions. Solid line is the real part of the dielectric response spectrum, and dashed line is the imaginary part. (b) The enhancement of the dielectric constants under different compressions. [Fan Zheng, John A. Brehm, Steve M. Young, Youngkuk Kim, and Andrew M. Rappe, Phys. Rev. B 93, 195210 (2016)]
We are interested in applying first-principles methods to find and design energy materials, including both energy harvesting materials and energy storate materals, such as photovoltaic materials and hydrogen storage materials.