Electrical and Electronic Engineering, Materials Science, Hardware and Architecture, Engineering
3
Scopus Publications
39
Scholar Citations
2
Scholar h-index
1
Scholar i10-index
Scopus Publications
Comparative study of strain-engineered thermoelectric performance of 2D-Xene nanoribbons Kalpana Panneerselvam, Swastik Sahoo, Bhaskaran Muralidharan Journal of Physics D Applied Physics, 2025 The quest for efficient and scalable thermoelectric (TE) materials has catalyzed intense interest in quasi-1D nanoribbons, where reduced dimensionality and structural tunability can decouple key transport parameters to enhance energy conversion. In this work, we present a unified comparative study of the thermopower in armchair nanoribbons derived from five archetypal 2D materials: graphene, silicene, germanene, stanene and phosphorene. Using a tight-binding model parameterized by first-principles inputs and solved within the Landauer–Büttiker formalism, we compute strain and width-dependent thermopower across nanoribbons classified by width families (3p, 3p + 1, 3p + 2) over a wide range of uniaxial tensile strain. Our results reveal that TE behavior is governed by a complex interplay of bandgap evolution, chemical potential asymmetry, and quantum confinement. While graphene and silicene exhibit pronounced family and width sensitive thermopower enhancement under moderate strain, heavier Xenes such as germanene and stanene show diminished responses. In particular, phosphorene nanoribbons emerge as exceptional, exhibiting remarkably high thermopower ( ≈ ± 62 k B / e ), a consequence of their large, persistent bandgap and anisotropic electronic structure. Across all systems, the 3p + 2 family transitions from near-metallic to semiconducting under strain, enabling dramatic activation of thermopower in previously inactive configurations. This systematic cross-material analysis delineates the design principles for the optimization of TE in 1D nanoribbons, highlighting the strategic use of width control and strain engineering. Our findings identify phosphorene as an intrinsically superior TE material and position-strained Xene nanoribbons as promising candidates for tunable, low-dimensional TE devices.
Density Functional Theory of Straintronics Using the Monolayer-Xene Platform: A Comparative Study Swastik Sahoo, Namitha Anna Koshi, Seung-Cheol Lee, Satadeep Bhattacharjee, Bhaskaran Muralidharan ACS Applied Nano Materials, 2024 Monolayer silicene is a front runner in the two-dimensional (2D)-Xene family, which also comprises germanene, stanene, and phosphorene, to name a few, due to its compatibility with current silicon fabrication technology. Here, we investigate the utility of 2D-Xenes for straintronics using the ab initio density functional theory (DFT) coupled with quantum transport based on the Landauer formalism. With a rigorous band structure analysis, we show the effect of strain on the K-point and calculate the directional piezoresistances for the buckled Xenes as per their critical strain limit. Further, we compare the relevant gauge factors (GFs) and their sinusoidal dependencies on the transport angle akin to those of silicene and graphene. The strain-insensitive transport angles corresponding to the zero gauge factors for silicene and germanene are 81 and 34° for armchair (AC) and zigzag (ZZ) strains, respectively. As the strain limit is increased to 10% in stanene, there are notable changes in the fundamental parameters, which entail a change in the critical angle along the armchair (69°) and zigzag (34°) directions. The small values of gauge factors can be attributed to their stable Dirac cones and strain-independent valley degeneracies. We also explore conductance modulation, which is quantized in nature and exhibits a variation pattern similar to that of other transport parameters against applied strain. Based on the obtained results, we propose the buckled Xenes as an interconnect in flexible electronics and that they are promising candidates for various applications in straintronics.
Silicene: An excellent material for flexible electronics Swastik Sahoo, Abhinaba Sinha, Namitha Anna Koshi, Seung-Cheol Lee, Satadeep Bhattacharjee, Bhaskaran Muralidharan Journal of Physics D Applied Physics, 2022 The outstanding properties of graphene have laid the foundation for exploring graphene-like 2D systems, commonly referred to as 2D-Xenes. Among them, silicene is a front-runner due to its compatibility with current silicon fabrication technologies. Recent works on silicene have unveiled its useful electronic and mechanical properties. The rapid miniaturization of silicon devices and the useful electro-mechanical properties of silicene necessitate the exploration of potential applications of silicene flexible electronics in nano electro-mechanical systems. Using a theoretical model derived from the integration of ab initio density-functional theory and quantum transport theory, we investigate the piezoresistance effect of silicene in the nanoscale regime. As with graphene, we obtain a small value of the piezoresistance gauge factor (GF) of silicene, which is sinusoidally dependent on the transport angle. The small GF of silicene is attributed to its robust Dirac cone and strain-independent valley degeneracy. Based on the obtained results, we propose to use silicene as an interconnect in flexible electronic devices and as a reference piezoresistor in strain sensors. This work will hence pave the way for exploring flexible electronics applications in other 2D-Xene materials.
RECENT SCHOLAR PUBLICATIONS
Comparative study of strain-engineered thermoelectric performance of 2D-Xene nanoribbons K Panneerselvam, S Sahoo, B Muralidharan Journal of Physics D: Applied Physics 58 (44), 445302 , 2025 2025.0 Citations: 2
Rashba-induced spin Hall response in a disordered four-terminal structure S Sahoo, S Bhattacharjee, B Muralidharan arXiv preprint arXiv:2507.01584 , 2025 2025.0
Landauer-Buettiker approach for the spin Hall angle in monolayer-Xenes B Muralidharan, S Sahoo APS March Meeting Abstracts 2024, Q21. 005 , 2024 2024.0
Density functional theory of straintronics using the monolayer-xene platform: a comparative study S Sahoo, NA Koshi, SC Lee, S Bhattacharjee, B Muralidharan ACS Applied Nano Materials 7 (3), 2939-2949 , 2024 2024.0 Citations: 7
Straintronics using the monolayer-Xene platform--a comparative study S Sahoo, NA Koshi, SC Lee, S Bhattacharjee, B Muralidharan arXiv preprint arXiv:2306.01437 , 2023 2023.0
Silicene: an excellent material for flexible electronics S Sahoo, A Sinha, NA Koshi, SC Lee, S Bhattacharjee, B Muralidharan Journal of Physics D: Applied Physics 55 (42), 425301 , 2022 2022.0 Citations: 29
Silicene Straintronics S Sahoo, A Sinha, N Koshi, S Bhattacharjee, SC Lee, B Muralidharan APS March Meeting Abstracts 2022, Z72. 010 , 2022 2022.0
An Analytical Simulation of Step-Index Single Mode Fiber using COMSOL and OptiFiber S Sahoo 2020.0 Citations: 1
SYSTEM MODELLING OF DTH BROADCASTING AT KA BAND MULTIBEAM SATELLITE SYSTEM OVER INDIA S Sahoo, P Supriya, KK Bandyopadhyay
MOST CITED SCHOLAR PUBLICATIONS
Silicene: an excellent material for flexible electronics S Sahoo, A Sinha, NA Koshi, SC Lee, S Bhattacharjee, B Muralidharan Journal of Physics D: Applied Physics 55 (42), 425301 , 2022 2022.0 Citations: 29
Density functional theory of straintronics using the monolayer-xene platform: a comparative study S Sahoo, NA Koshi, SC Lee, S Bhattacharjee, B Muralidharan ACS Applied Nano Materials 7 (3), 2939-2949 , 2024 2024.0 Citations: 7
Comparative study of strain-engineered thermoelectric performance of 2D-Xene nanoribbons K Panneerselvam, S Sahoo, B Muralidharan Journal of Physics D: Applied Physics 58 (44), 445302 , 2025 2025.0 Citations: 2
An Analytical Simulation of Step-Index Single Mode Fiber using COMSOL and OptiFiber S Sahoo 2020.0 Citations: 1
Rashba-induced spin Hall response in a disordered four-terminal structure S Sahoo, S Bhattacharjee, B Muralidharan arXiv preprint arXiv:2507.01584 , 2025 2025.0
Landauer-Buettiker approach for the spin Hall angle in monolayer-Xenes B Muralidharan, S Sahoo APS March Meeting Abstracts 2024, Q21. 005 , 2024 2024.0
Straintronics using the monolayer-Xene platform--a comparative study S Sahoo, NA Koshi, SC Lee, S Bhattacharjee, B Muralidharan arXiv preprint arXiv:2306.01437 , 2023 2023.0
Silicene Straintronics S Sahoo, A Sinha, N Koshi, S Bhattacharjee, SC Lee, B Muralidharan APS March Meeting Abstracts 2022, Z72. 010 , 2022 2022.0
SYSTEM MODELLING OF DTH BROADCASTING AT KA BAND MULTIBEAM SATELLITE SYSTEM OVER INDIA S Sahoo, P Supriya, KK Bandyopadhyay
