Atomic scale modeling of ferro-optical properties

Wednesday, May 31, 2023
B - Materials for energy conversion systems: fundamentals, designs, and applications B2_03 10:00 AM > 12:00 PM Atomic scale modeling of ferro-optical properties Dresde (1st floor) B - Materials for energy conversion systems: fundamentals, designs, and applications

10:00 AM 2006 Second-principles modelling of ferroelectric oxides and related compounds with MULTIBINIT > A. Alireza SASANI (Liège) 10:30 AM 659 Microscopic origins of enhancement of dielectric permittivity in substituted and co-doped transition metal oxides > A. Alex KUTANA (Nagoya) 10:45 AM 2321 First principal calculation of structural, electronic and optical properties of ZnX (X = Te, S and O): Application to Cu(In,Ga)Se2 solar cells > I. Idris BOUCHAMA (Msila) 11:00 AM 221 Investigation of Photocatalytic Properties of Undoped and Doped BaTiO3 Compounds > W. Wyclifffe ISOE (Kakamega) 11:30 AM 1355 First principles phase diagram calculation and theoretical investigation of electronic structure properties of KCuTe1-mSem for photoelectrode applications > A. Arini KAR (Mumbai) 11:45 AM 1280 Defect control and ab initio thermodynamics for synthesising chalcogenide perovskite > Z. Zhenzhu LI (London)

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