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Going beyond the Adiabatic Approximation – Crystal Field Phonon Interactions in McPhase

日程 : 2022年11月8日(火) 1:30 pm - 3:00 pm 場所 : 第5セミナー室(A615)及び Zoom (ハイブリッド開催) 講師 : Dr. habil. Martin Rotter 所属 : McPhase Project 世話人 : 益田 隆嗣 (ex. 63415)
e-mail: masuda@issp.u-tokyo.ac.jp
講演言語 : 英語

Commonly the approach to the solid state is based on the adiabatic approximation. I will show some kind of physics which is neglected by this viewpoint: the crystal field phonon interaction is introduced on a simple model of a linear chain of Ce ions. This model is being developed into a numerical ab initio method to study the correlation of phonon and many body electron dynamics. I will focus on the numerical simulation of neutron spectra of some sample systems, e.g. Tb2Ti2O7, PrNi2Si2. Such model calculations can be done with the newest version of the McPhase software package for magnetism.

Going beyond the core subject of the seminar there will be room to discuss any other topic of interest within the context of numerical simulations using McPhase including also a short training in using this program package. I will make accessible to the participants of the seminar the new version 5.5 of the McPhase program, which will be tested in an online workshop 17-21 October and which will be published after the Micro-Workshop scheduled
30.Jan-3.Feb 2023 in Venice, Italy (registration deadline 1.Nov.2022). Further Information: www.mcphase.de


(公開日: 2022年10月20日)