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Dynamics Induced by Femtosecond Laser and Photovoltaic Phenomena Studied by Using Time-Dependent First Principles Method

Published online by Cambridge University Press:  20 July 2012

Yoshiyuki Miyamoto
Yoshiyuki Miyamoto*
Affiliation:
Nanosystem Res. Ins., National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono, Tsukuba, 305-8568, Japan.
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Abstract

In this work, the first-principles computational scheme of electron-ion dynamics based on the time-dependent density functional theory is presented as a tool to study dynamical phenomena induced by light. Two applications of computations for photo-induced phenomena are shown. The one is structural change induced by intense and short laser shot with a purpose to simulate experiments using the femtosecond laser. The other is photo-excitation and subsequent carrier splitting into electrons and holes, which is a key process needed in photovoltaic materials.

Keywords

oxidationphotovoltaicsimulation
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1455: Symposium II – Nanoscale Materials Modification by Photon, Ion, and Electron Beams , 2012 , mrss12-1455-ii03-02
Copyright
Copyright © Materials Research Society 2012

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