About

I am a PhD student working in the MATES Lab at the Harish-Chandra Research Institute (HRI), India. My research focuses on computational condensed matter physics and materials science, especially on the electronic, optical, vibrational, and interfacial properties of functional materials using first-principles simulations.

My PhD work involves studying oxide double perovskites under pressure, optically active halide perovskites, and vdW heterostructures for energy-related applications such as photovoltaics, photodetection, and charge-transport engineering.

Research Interests

• Density Functional Theory (DFT) simulations of solids and heterostructures
• Oxide double perovskites under pressure and structural phase transitions
• Electronic structure: band structures, DOS, effective masses, band alignment
• Phonons, lattice dynamics, octahedral distortions, soft modes
• Optical properties, SLME, exciton behavior, optoelectronic materials
• Hybrid organic–inorganic halide perovskites
• MXenes and perovskite/MXene heterostructures
• Ab-initio molecular dynamics (AIMD)

Publications

1. Solid-state synthesis of stable and color tunable cesium lead halide perovskite nanocrystals and the mechanism of high-performance photodetection in a monolayer MoS₂/CsPbBr₃ vertical heterojunction.
   Joydip Ghosh, Larionette P. L. Mawlong, Manasa G. B, et al., J. Mater. Chem. C, 8, 8917–8934 (2020).
2. Anisotropic Photoconductivity and Long-Lived Charge Carriers in Bismuth-Based One-Dimensional Perovskite.
   Johnpaul K. Pious, Manasa G. Basavarajappa, et al., J. Phys. Chem. Lett., 11, 6757–6762 (2020).
3. Self-Assembled Organic Cations Assisted Band-Edge Tailoring in Bismuth-based Perovskites.
   J. Pious, Manasa G. Basavarajappa, et al., J. Phys. Chem. Lett., 12, 5758–5764 (2021).
4. Evolution of Hybrid Organic–Inorganic Perovskite Materials under External Pressure.
   Manasa G. Basavarajappa, M. K. Nazeeruddin, S. Chakraborty, Appl. Phys. Rev., 8, 014109 (2021). (Editor's Choice)
5. Tuning Composition Space in Lead-Free Divalent and Tetravalent Halide Perovskites.
   A. Sarangi, Manasa G. Basavarajappa, S. Chakraborty, Emergent Materials, 5, 1021–1032 (2022).
6. Rationalization of Double Perovskite Oxides as Energy Materials.
   Manasa G. Basavarajappa, S. Chakraborty, ACS Materials Au, 2, 655–664 (2022). (Invited Review)
7. Tuning Optoelectronic Properties of KBaTeBiO₆ Double Perovskite Through Cationic Interplay.
   Manasa G. Basavarajappa, S. Chakraborty, ACS Applied Optical Materials, 2, 254–261 (2024).
8. Zero-dimensional Tin Halide Perovskite with Long Carrier Lifetime for Deep-UV Photodetection.
   A. Ajayakumar, Manasa G. Basavarajappa, et al., Adv. Funct. Mater., 34, 2304899 (2024).
9. Thermally-Induced Reversible Fluorochromism in Hybrid Copper(I)-Halide Perovskite Crystals.
   A. Dev, Manasa G. Basavarajappa, et al., Chem. Mater., 36, 5912 (2024).
10. Synergistic Effect of Temperature and Electric Field on Charge Transfer in MXene–Halide Perovskite Heterostructures.
    A. Sarangi, Manasa G. Basavarajappa, S. Chakraborty, Phys. Rev. B (2024).
11. Local Symmetry Driven Octahedral Distortions and Phonon Softening in Pressure Tuned Oxide Double Perovskites.
    Manasa G. Basavarajappa, A. Sarangi, S. Chakraborty, Under Revision.

Teaching & Tutorials

• Autumn 2019 – Magnetostatics (Tutorial), B.Tech I Sem, IIT Indore
• Spring 2020 – Electrostatics–Electrodynamics (Tutorial), B.Tech II Sem, IIT Indore
• Autumn 2020 – Modern Physics (Tutorial), B.Tech I Sem, IIT Indore
• Independence Term 2024 – Classical Mechanics (Tutorial), M.Sc. I Sem, HRI

Conferences & Workshops

• MRSI AGM & Materials Conclave, Kolkata (2020)
• Materials for Energy Harvesting & Catalysis (2020)
• Materials Simulation Webinar Series (2020)
• FDP: Computational Techniques in Chemistry & Materials Science (2020)
• ICTP Workshop on Excited Charge Dynamics (2020)
• VAIBHAV Summit (2020)
• CACEE Conference (2020)
• EESTER International Conference, SRM + IIT Madras (2023)
• CARE Conference, TIFR + HRI (2023)
• MRM–IUMRS 2023, Kyoto, Japan (Supported by CSIR Travel Grant)

Contact

If you'd like to connect or collaborate, feel free to reach out:

📧 manasagb@hri.res.in
📞 +91 8317385584
🏢 Harish-Chandra Research Institute (HRI), Prayagraj, India

https://orcid.org/0000-0003-1176-5941

(Google Scholar, LinkedIn, GitHub links can be added here once shared.)