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

Date : Tuesday, November 8th, 2022 1:30 pm - 3:00 pm Place : On Zoom and Seminar Room 5(A615), 6th Floor, ISSP (Hybrid) Lecturer : Dr. habil. Martin Rotter Affiliation : McPhase Project Committee Chair : Takatsugu Masuda (ex. 63415)
e-mail: masuda@issp.u-tokyo.ac.jp
Language in Speech : English

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


(Published on: Thursday October 20th, 2022)