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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
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.
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- Copyright © Materials Research Society 2012