Research team

Condensed Matter Theory

Expertise

My specific research is mainly based on two-dimensional ultra-thin structures. Their structural, magnetic, electronic, vibrational, and elastic properties are studied by means of first-principles calculations based on Density Functional Theory (DFT). Specific to vibrational properties of ultra-thin materials, we investigate the phononic characteristics and Raman spectrum of the material in order to have information about its structural phases. For the mechanical properties of a material, we analyze the strain-stress behavior of the material in order to investigate its linear and non-linear elastic properties. Electronic properties are analyzed in terms of the electronic band dispersions, effective masses of electrons and holes, and the atomic orbitals based band decomposed charge densities.

Tunable in-plane and out-of-plane anisotropy in two dimensional materials. 01/10/2018 - 30/09/2021

Abstract

Two-dimensional (2D) single-layer materials are currently a very important topic in materials science because of their unique properties. A particular class of such materials are one those with low symmetry and with anisotropy which are important candidates for various applications in nanotechnology ranging from optoelectronic to spin-based devices and even to field effect transistors (FET) and nano optical waveguide polarizers. The prediction of novel stable anisotropic single-layer crystals and a deeper understanding of their physical properties is very important. The understanding of their Raman spectrum is essential in distinguishing between the different structural phases and in determining the crystal orientation of the material. The present project puts forward a method to determine the crystal orientation of anisotropic materials through resonant Raman measurements from both first- and second-order Raman spectra. I will contribute to the study of first- and second-order resonant Raman scattering in anisotropic materials, from which information on the electron-phonon and exciton-phonon interactions can be obtained. These are very important for the understanding of light-matter interactions. Moreover, 2D materials are often subject to external forces such as strain and charge transfer to or from the substrate. Therefore, these effects on the physical properties of anisotropic materials will be thoroughly investigated.

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