Physical properties of superstrained graphene and phosphorus allotropes

23/10/2017 - quinta feira - 15:30 - Auditório do IF

Physical properties of superstrained graphene and phosphorus allotropes 

Prof. Dr. Luis Craco

Instituto de Física - UFMT 

Resumo:  In this talk, we will discuss our results based on DFT+DMFT approximation  to reveal the existence of intrinsic many-body correlation effects in the  electronic states of p-band quantum systems. Attention will be given to  black and the A7 metastable phase of bulk phosphorus as well as to some of our most recent results for superstrained graphene. In the case of superstrained graphene we will shortly describe the way towards Mott localization and orbital-selective antiferromagnetism in strained carbon-based systems. Additionally, upon carefully comparing the experimentally obtained electronic band dispersions and transport data to our theoretical results, we provide novel insights into intra- and inter-layer electronic properties of black phosphorus at ambient pressure. We will describe anisotropic contributions of bulk states near the Fermi level and their changes due to pressure effects, an aspect of top importance for the understanding of Kondoness relevant to future thermoelectric transport  in this class of layered p-band materials.  

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