Birabar Nanda

TL;DR: In this paper, the authors applied the full-potential linearized muffin tin orbital method and the tight-binding linearized MTL orbital method to investigate the electronic structure and magnetism of a series of half-Heusler compounds XMZ with X = Fe,Co,Ni, M = Ti,V,Nb,Zr,Cr,Mo,Mn and Z = Sb,Sn.

TL;DR: In this paper, the electronic structure of graphene with a single substitutional vacancy was studied using a combination of the density-functional, tight-binding and impurity Green's function approaches. And the results showed that the long-range nature of the V? wave function is a unique feature of the graphene vacancy and that this may be one of the reasons for the widely varying relaxed structures and magnetic moments reported from the supercell band calculations in the literature.

TL;DR: In this paper, the electronic structure of the bilayer graphene (BLG) is changed by electric field and strain from ab initio density-functional calculations using the linear muffin-tin orbital and the linear augmented plane wave methods.

TL;DR: In this paper, the authors study how strain affects orbital ordering and magnetism at the interface between a three-site Mn-O-Mn model and interpret the basic results in terms of a three site model.

TL;DR: In this paper, the magnetic properties of superlattices were studied from density functional calculations, and it was shown that the magnetism changes with the layer thickness of the lattice, and the reason for the different magnetic structures is the varying potential barrier across the interface.