We work in the area of computational nanoelectronics. Expertise in the microscopic simulation of non-equilibrium phenomena will play a crucial role not only in the research and design of emerging electronic and spintronic devices but also in diverse areas such as biological systems. Our simulations address a large class of problems encompassing electron, spin, and…
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In this episode of the Physics World Weekly podcast, Prof. Bhaskaran Muralidharan, who leads the Computational Nanoelectronics & Quantum Transport Group at the Indian Institute of Technology Bombay, talks about how computational physics is being used to develop new quantum materials; and how ultrasound can help detect breast cancer. In a conversation with Physics World’s Hamish Johnston, he…
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Recent experiments on Cooper pair splitters using superconductor-quantum dot hybrids have embarked on creating entanglement in the solid-state, by engineering the sub-gap processes in the superconducting region. Using the thermoelectric Cooper pair splitter setup [Nat. Comm., 12, 21, (2021)] as a prototype, we present a comprehensive analysis of the fundamental components of the observed transport…
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A class of two-dimensional (2D) materials known as MXenes has a layered structure and is expected to exhibit unique thermoelectric (TE) properties. Despite the high expectations for certain MXenes’ TE capabilities, there has been surprisingly limited theoretical research into this area. Inspired by the recent successful growth of 2D monolayer Ti3C2 MXene, here we explore the…
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The pursuit of high-efficiency heat-to-electricity conversion is one of the indispensable driving forces toward future renewable energy production. The two-dimensional (2D) transition metal dichalcogenide, such as molybdenum disulfide (MoS2), is at the forefront of research due to its outstanding heat propagation features and potential applications as a thermoelectric material. Using the first-principles density functional theory…
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To provide the best possible performance, modern infrared photodetector designs necessitate extremely precise modeling of the superlattice absorber region. We advance the Rode’s method for the Boltzmann transport equation in conjunction with the 𝐤.𝐩 band structure and the envelope function approximation for a detailed computation of the carrier mobility and conductivity of layered type-II superlattice structures, using which…
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Neuromorphic computing is inspired by the working of the brain, which performs highly complex tasks while consuming remarkably low power. We employ spintronics to design devices, circuits, and networks to realize hardware implementation of machine learning architectures, i.e., neuromorphic computing. We use our developed hybrid simulation setup to incorporate the diverse physics of spin-transport, magnetization…
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Photodetectors are of utmost importance in optoelectronics and the rising multiplicity of technology calls for new materials and novel device paradigms. This work proposes an optically gated double-gate tunnel field-effect transistor photosensor, employing a monolayer of transition metal dichalcogenide as the channel material. The photodetector works on the principle of band-to-band tunneling, which, we demonstrate,…
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In recent years, graphene has been rigorously explored for straintronics applications due to its excellent properties. Inspired from this, we develop a template for rest of the Xenes to utilize them as an interconnect for flexible electronics in terms of piezo-conductivity, strain-insensitive transport angle and other related parameters.

Harnessing topological phases with their dissipationless edge-channels coupled with the effective engineering of quantum phase transitions is a spinal aspect of topological electronics. The accompanying symmetry protection leads to different kinds of topological edge-channels which include, for instance, the quantum spin Hall (QSH) phase, and the spin quantum anomalous Hall (SQAH) phase. To model realistic…
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