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Optoelectronic Properties for photovoltaics, and photocatalysis
The transition toward clean, renewable energy relies heavily on the discovery and optimization of advanced optoelectronic and photovoltaic materials. My research focuses on the theoretical design and fundamental understanding of 2D materials and their heterostructures tailored for these applications. By employing first-principles DFT paired with many-body perturbation theory (GW-BSE), I rigorously calculate the band alignments, excitonic effects, and optical absorption spectra, and other relevant properties of these materials to evaluate their efficiency.
2D Magnetism and Spintronics
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Spintronics leverages the intrinsic spin of electrons to develop ultra-fast, low-power, and non-volatile electronic devices. A central component of my research involves exploring the 2D magnetic materials including ferromagnetic (FM) semiconductors, half-metals, and spin-gapless semicondutors (SGS) for their application in spintronics. I am particularly interested in how structural asymmetries can be exploited to control magnetic behavior at the nanoscale.
Altermagnetism: A New Magnetic Phase
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Beyond conventional FM and AFM, my research explores the rapidly emerging field of altermagnetism. This novel class of magnetic materials with zero net macroscopic magnetization supports momentum-dependent, non-relativistic spin splitting (NRSS) in the electronic band structure due to specific crystallographic and magnetic space group symmetries.
Focusing on 2D altermagnets, I am investigating the fundamental symmetry requirements and electronic properties of highly symmetric monolayers. To achieve a comprehensive understanding of these phenomena, my approach bridges high-throughput DFT simulations with the exact analytical derivation of tight-binding Hamiltonians to gain deep insights into the microscopic origins of NRSS, paving the way for advanced spin-momentum locking applications without the need for heavy elements or strong spin-orbit coupling.
Quantum Dots
In addition to extended 2D systems, my research investigates the highly tunable properties of quantum dots (0D). The strong quantum confinement in these nanoscale structures leads to discrete electronic energy levels and unique optical characteristics that are highly dependent on their size, shape, and edge passivation. Using first-principles calculations, I analyze the optoelectronic and electrocatalytic (for hydrogen evolution) properties of various quantum dots.
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