Daniel Packwood

Affiliation

Institute for Integrated Cell-Material Sciences (iCeMS), Kyoto University

Position

Lecturer

Contact

dpackwood@icems.kyoto-u.ac.jp

HP

http://www.packwood.icems.kyoto-u.ac.jp/

Research Project

Two-dimensional magnetism based upon asymmetric metal complexes: Materials discovery using first-principles structure prediction

Abstract

Two-dimensional materials displaying long-range magnetic order are highly anticipated for spintronics applications. In this research, we will develop first-principles structure prediction methods for thin films formed from metal complexes (Fig 1A). Using these methods, we will then perform virtual screening for thin films which display novel long-range magnetic order (Figure 1B). By incorporating asymmetry into the metal complexes, this virtual screening will show how the distances between metal ions can be optimized to induce interesting spin textures in the thin film (Figure 1C).

Research Areas

First-principles calculations, surface materials, applied mathematics, applied probability, optimization

Keywords

Metal complex thin film, asymmetric metal complex, first-principles structure prediction, two-dimensional magnetism, virtual screening