First-principles calculation of charged capacitors under open-circuit conditions using the orbital-separation approach

Shusuke Kasamatsu,1,* Satoshi Watanabe,2 and Seungwu Han3,† 1The Institute for Solid State Physics, The University of Tokyo, 5–1–5 Kashiwanoha, Kashiwa-shi, Chiba 277–8581, Japan 2Department of Materials Engineering, The University of Tokyo, 7–3–1 Hongo, Bunkyo-ku, Tokyo 113–8656, Japan 3Department of Materials Science and Engineering and Research Institute of Advanced Materials, Seoul National University, Seoul 151-742, Korea (Received 16 March 2015; revised manuscript received 29 June 2015; published 11 September 2015)