Materials physics,
theory + experiment.
My research connects atomic-scale modelling with experimental evidence to understand structural, electronic, optical, electrical, magnetic, transport and thermoelectric properties of functional materials.
From crystal structure to measurable response.
Theoretical and experimental routes are treated as complementary tools: calculation helps explain mechanisms, while experiment tests and reveals the real material response.
Structural relaxation, energetics, electronic structure, spin-polarized calculations, SOC and first-principles property prediction.
Spectroscopy, electrical and impedance measurements, magnetic measurements and interpretation of experimental trends.
Band structures, DOS, charge analysis, dielectric response, absorption and microscopic interpretation of transitions.
Magnetic ordering, spin-dependent electronic states and structure–magnetism relationships in functional compounds.
Seebeck coefficient, conductivity trends, carrier response and thermoelectric performance using Boltzmann transport methods.
Structural stability, phonons, elastic response and the connection between stable phases and predicted functionality.
Doping, substitution and compositional tuning to control band gaps, optical response, magnetism and transport.
VASP, WIEN2k, VASPKIT, BoltzTraP2, Bader analysis and data-driven workflows supporting materials research.