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PGI-1 Talk: Arqum Hashmi

First-Principles Study on Magnetic Properties of New 2D Materials

23 Jan 2019 11:30
PGI Lecture Hall

University of Tsukuba, Japan


In this era, a material science progress depends on the discovery of new materials and understands their properties. Two-dimensional (2D) materials are compounds with reduced dimensionality, which often display unexpected physical properties. The study of 2D materials is receiving great research, for instance, extensive studies have been performed on graphene, MoS2, silicene and phosphorene because they display unique physical properties and their potential applications in electronics.

In the first part of my talk, I will talk about a new 2D system, so-called phosphorene, it was mechanically exfoliated by scotch tape based micro cleavage from layered bulk black phosphorus. Phosphorene is a non-magnetic (NM) semiconductor with highly anisotropic electrical and optical properties. However, the magnetism in phosphorene still remains an open question. Thus, in this talk my focus would be particularly on the possibility of long-range ferromagnetic (FM) ordering in 2D phosphorene layer.

Since most of the reported 2D layered materials have p-orbital characters and show no sign of the magnetic state. It is an important issue to search for magnetic 2D materials with d-orbital character. Accordingly, my 2nd part of the talk is about, recently synthesized FM flat (FL) hafnene monolayer (consisting of Hf atoms) on Ir(111) substrate. Hafnene honeycomb lattice is morphologically identical to graphene. Hf belongs to the transition metals of group IV in the periodic table. In this column, the materials usually have a hexagonal close-packed (HCP) NM bulk structure. Thus, we raise a question whether FM FL honeycomb geometry in a monolayer is stable. Herein, 2nd part of my talk will unravel the structural stability of the HF monolayer and its influence on magnetism by using first principles calculations.


Dr. Paul F. Baumeister
Phone: +49 2461 61-9537
email: p.baumeister@fz-juelich.de