Site-dependent properties of negatively charged silicon mono vacancies in SiC nanowire.
Nonlinear, hybrid surface-defect states in Bi2Se3.
Effect of strain on point defect in hBN. dBB = distance between boron atoms around the defect.
One of the localized defect states of a negatively charged silicon vacancy in 4H-SiC.
Simulated STM image for a defect in graphene.
Organic dye-titania nanoparticle complex for dye-sensitized solar cell.
Stable benzene-capped transition metal sandwich structures on graphene for spintronics.
Computational Materials Group at the Department of Physics & Astronomy
Welcome to our research group web page. Here you will mostly find information about our theoretical work investigating the structural, electronic and optical properties of bulk, nanostructured and composite materials using Density Functional Theory (DFT) and DFT-based computational methods.
We are interested in an array of topics at the interface of Condensed Matter Physics, Quantum Chemistry and Materials Science, including novel 2D quantum materials and their heterostructures, hybrid nanomaterials, organic crystals and the physics of defect centers in solids.
Please feel free to contact me if you have any comments or questions.
