Events

Department of Magnetic Reseach Seminar

From atomic monolayers to bulk permanent magnets: calculations using density functional theory of selected magnetic systems

dr hab. Mirosław Werwiński, prof. IFM PAN

Instytut Fizyki Molekularnej PAN w Poznaniu

Seminarium odbędzie się zdalnie w aplikacji Microsoft Teams. W celu wzięcia udziału w wydarzeniu należy dołączyć do zespołu Seminarium OBM. Można do niego dołączyć na stałe przy użyciu kodu dostępu ol7omod (dotyczy to osób posiadających konto w domenie intibs.pl, pozostałe osoby proszę o kontakt z prof. dr. hab.Adamem Pikulem, prof. INTiBS PAN ())

The seminar will be held remotely in the Microsoft Teams application. In order to participate in the event, you must join the Seminarium OBM team. You can join it permanently using the access code ol7omod (this applies to people with an account in the intibs.pl domain, other people please contact Prof. Adam Pikul , Prof. INTiBS PAN ())

Abstract:

First-principles calculations using density functional theory (DFT) allow materials to be modeled at the atomic scale and the electronic structure to be determined. Infinitely periodic three-dimensional models allow the determination of intrinsic properties of materials, such as, in the case of magnetically hard materials, saturation magnetization, magnetic anisotropy constant and Curie temperature. On the other hand, breaking the periodicity of the model in the selected direction allows atomic-scale modeling of thin films up to a few nanometers (tens of atomic monolayers) thick. Layered systems modeled in this way make it possible to  determine the detailed geometry of thin films, specific surface characteristics (layer-by-layer), and, in the case of heterostructures, to determine the interface parameters and its effect on the properties of the system. In addition to a general introduction, selected computational results obtained for certain solid magnetic materials and iron thin films will be presented.