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Schematic depiction of origin and relevance of correlations for a square lattice with a single orbital on each site.

Schematic depiction of origin and relevance of correlations for a square lattice with a single orbital on each site. If an electron will hop to the next nn site is decided by the Pauli exclusion principle along with the filling and its impact on the t vs U competition. For low filling, the likelihood of hopping is higher representing a weakly correlated case. Near half-filling the competition between −t and +U becomes important representing strong correlations and subtle changes in the system environment like temperature, pressure can give rise to different phases with characteristic properties.

Debalina Banerjee

Postdoctoral Research Assistant

Research theme

  • Photovoltaics and nanoscience

Sub department

  • Condensed Matter Physics

Research groups

  • Computational Condensed Matter Physics Group
debalina.banerjee@physics.ox.ac.uk
Clarendon Laboratory
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  • About

I am a post-doctoral fellow in the computational condensed matter physics group at the University of Oxford with Prof. Marina Filip.  I did my PhD from King's College London in 'Strong correlations in Lanthanide Interfaces and Metal Oxides' in 2023. Before that I have done one MSc in 'Cross Disciplinary Approaches to Non-Equilibrium systems' in 2018 from King's College London and one MSc in Physics in 2015 from S N Bose National Centre for Basic Science in collaboration with the University of Calculatta (rather meandering walkways?).

My work here at Oxford as a PDRA is funded by the UKRI/EPSRC project on "Advanced Device Concepts for Next-Generation Photovoltaics" where we aim to use first principle computational modelling techniques like Density Functional Theory (DFT), Many-Body Perturbation theory (MBPT) to study complex heterogeneous materials including but not limited to metal halide perovskites, organic-inorganic systems, materials with reduced dimensionality, complex heterostructures, etc. 

In general I am interested in understanding the role of correlations, from strong to weak, in the behaviour of real materials for material design and discovery. My modus operandi is based on using a combination of mean-field and many-body methods for electrons and atoms including Density Functional theory (DFT), DFT+U, Green's function based approaches as the GW-approximation (with Bethe-Salpeter Equations or BSE), Dynamical mean field theory (DMFT) and also Density Functional Perturbation theory (DFPT), random structure search (RSS) among others as the hour calls. An important aspect of such theoretical work is also active experimental collaboration and verification(s) for a truer understanding of the nature of materials which is a crucial part of my research aims and perspective. 

Apart from this, I am passionate about the role of women in science, gender equity, science communication, and easy understanding and accessibility of scientific ideas and knowledge, promoting science discussion, and quality education for all. I like reading all kinds of books, day hikes, going to theatres, musicals, concerts, impressionist art (and other forms too) and almost all amazing things in the universe (phew!).

Research interests

Strongly correlated systems
Weakly correlated systems
Computational condensed matter physics
Density Functional Theory
Dynamical Mean Field Theory
the GW approximation

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