Temperature-dependent band structure of bulk EuO

Temperature-dependent bandstructure of bulk EuO

We present calculations for the temperature-dependent electronic structure of bulk ferromagnetic EuO based on a parametrization of the d-f model Hamiltonian using results of first-principles TB-LMTO band structure calculations. The presented method avoids the problem of double-counting of relevant interactions and takes into account the symmetry of the atomic orbitals. It enables us to determin...

Spin filtering with EuO: Insight from the complex band structure

Pavel V. Lukashev,1 Aleksander L. Wysocki,1,2 Julian P. Velev,3 Mark van Schilfgaarde,4 Sitaram S. Jaswal,1 Kirill D. Belashchenko,1 and Evgeny Y. Tsymbal1,* 1Department of Physics and Astronomy & Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln, Nebraska 68588, USA 2School of Applied Engineering Physics, Cornell University, Ithaca, New York 14853, USA 3Department ...

Quasiparticle Band Structure Calculation of Monolayer , Bilayer , and Bulk

Quasiparticle self-consistent GW calculations of the band structures and related effective mass parameters are carried out for bulk, monolayer and bilayer MoS2. Including excitonic effects within the Mott-Wannier theory, quantitative agreement is obtained between the A, B excitons, measured by absorption [1], and the calculated exciton gap energies at K. The A-B splitting arises from the valenc...

Electronic Band Structure of Bulk and Monolayer V2O5

Vanadium oxide (V2O5) is a material that can be fabricated as a thin film of only a few atomic layers thick during mechanical exfoliation due to the weak interlayer interactions, much like how graphene is created. During this project we looked at the band structure of both the bulk and mono-layered V2O5. We used computer software called ABINIT, which is installed on the high performance compute...

Ce-doped EuO: Magnetic properties and the indirect band gap