Interfacial Sulfur vacancies in MoS2-based van der Waals materials

The electronic, mechanical and vibration properties of layer-dependent van der Waals materials designed with atomic layers of BP and MoS2 are explored for nanoelectromechanical applications.

Native defects in monolayer PbTe

Native defects due to Pb and Te vacancies are explored in monolayer 2D-based PbTe using the typical medium dynaical cluster approximation. Native defects are demonstrated to behave as resonant states with the absent of in-gap defect states leading to defect-tolerant behavior

Weaker magnetism and superconductivity in PbTe

Broad 3D Fermi surface in PdTe destroys any chance of high-Tc superconductivity

Scientists Identify New Material with Potential for Brain-like Computing

https://www2.lehigh.edu/news/scientists-identify-new-material-with-potential-for-brain-like-computingThe work demonstrates the effectiveness of a design strategy that functionalizes a 2D material with an organic molecule

Home

Computational Condensed Matter and Materials Physics

We are a computational/theoretical condensed matter and materials physics group that are seeking to explain and predict the electronic, structural, optical, mechanical, transport, and magnetic properties of novel 2D materials, bulk, nanostructures, and composite materials using various levels of computational techniques. We are developing and currently use diverse computational approaches in our work, which includes the density functional theory and first-principles-based many-body approaches to study properties of materials.

Motivated students and postdocs that are interested in developing new tools for computational condensed matter and materials physics are encouraged to contact us.

If you have questions please contact us.