Prasanjit Samal

National Institute of Science Education and Research — India

Physics and Astronomy · Physical Sciences

19h-index872citations115works2.02yr avg
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Research Topics

Advanced Chemical Physics Studies(48), Spectroscopy and Quantum Chemical Studies(29), Quantum and electron transport phenomena(16), 2D Materials and Applications(15), Machine Learning in Materials Science(13)

Publications115 total

Accurate surface and interfacial properties from a nonempirical range-separated dielectric-dependent hybrid functional
Physical review. B./Physical review. B·2026
Electric-Field and Doping-Induced Non collinear Magnetic Interactions in Monolayer Ti$_2$Si
arXiv (Cornell University)·2025Open Access
First Principles study of Photocatalytic Water Splitting in BO Monolayer: Effect of Strain and Surface Functionalization
arXiv (Cornell University)·2025Open Access
Comprehensive First-Principles Study of Structural, Electronic, Mechanical, Optical, and Thermoelectric Properties of Fe-Based Half-Heusler Compounds
ACS Applied Energy Materials·2025
Unraveling the Surface Stability and Chemical Reactivity of Aza-Triphenylene Monolayer under O$_2$ and H$_2$O Exposure
arXiv (Cornell University)·2025Open Access
High ZT and low lattice thermal conductivity in defective half-Heusler Zr <sub>0.75</sub> PtSb <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi/> <mml:mrow> <mml:mn>1</mml:mn> <mml:mo>−</mml:mo> <mml:mtext>x</mml:mtext> </mml:mrow> </mml:msub> </mml:mrow> </mml:math> Bi <sub> <i>x</i> </sub> alloys: promising for mid- and high-temperature thermoelectric applications
Journal of Physics Condensed Matter·2025· 1 cited
Strain- and correlation-tuned magnetic anisotropy and Dzyaloshinskii-Moriya interaction in two-dimensional <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"> <mml:mrow> <mml:msub> <mml:mi mathvariant="normal">D</mml:mi> <mml:mrow> <mml:mn>3</mml:mn> <mml:mi>h</mml:mi> </mml:mrow> </mml:msub> <mml:msub> <mml:mi>FeTe</mml:mi> <mml:mn>2</mml:mn> </mml:msub> </mml:mrow> </mml:math>
Physical review. B./Physical review. B·2025
Simplified, Physically Motivated, and Broadly Applicable Range-Separation Tuning
The Journal of Physical Chemistry Letters·2025· 2 citedOpen Access
Strain and Correlation Modulated Magnetic Anisotropy and Dzyaloshinskii--Moriya Interaction in 2D H-FeTe$_2$
arXiv (Cornell University)·2025Open Access
Advancing excited-state properties of two-dimensional materials using a dielectric-dependent hybrid functional
Physical review. B./Physical review. B·2025· 5 citedOpen Access
Obesity in Children and Adolescents and its Impact on Mental Health
IntechOpen eBooks·2025· 1 citedOpen Access
Author response for "Strain trailing band engineering and phonon transport of high ZT ZrCoBi Half-Heusler alloy: A Mechanistic understanding from the first principles"
2025
Author response for "Strain trailing band engineering and phonon transport of high ZT ZrCoBi Half-Heusler alloy: A Mechanistic understanding from the first principles"
2025
Meta-GGA dielectric-dependent and range-separated screened hybrid functional for reliable prediction of material properties
Physical review. B./Physical review. B·2025· 5 cited
Meta-GGA dielectric-dependent and range-separated screened hybrid functional for reliable prediction of material properties
arXiv (Cornell University)·2025Open Access
Thermoelectric Characteristics of Silver-Based Chalcopyrite Semiconductors: An Ab Initio Study Based on the Nonempirical Range-Separated Dielectric-Dependent Hybrid
The Journal of Physical Chemistry C·2025· 4 cited
Nonempirical dielectric dependent hybrid as an accurate starting point for the single shot <i>G</i>0<i>W</i>0 calculation of chalcopyrite semiconductors
The Journal of Chemical Physics·2025· 2 cited
Strain trailing band engineering and phonon transport of high <i>ZT</i> ZrCoBi half-Heusler alloy: a mechanistic understanding from first principles
Physical Chemistry Chemical Physics·2025· 4 cited
Defect-Selective Ferromagnetic Ordering and Optical Tunability in C Ion-Implanted Microflowers Composed of TiO<sub>2</sub> Nanorods
ACS Applied Nano Materials·2024· 1 cited
Unveiling the Reactivity of Oxygen and Ozone on C<sub>2</sub>N Monolayer
physica status solidi (RRL) - Rapid Research Letters·2024Open Access
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Frequent Co-authors

Subrata Jana(34), Lucian A. Constantin(18), Abhilash Patra(12), Manoj K. Harbola(10), Szymon Śmiga(9), Bikash Patra(7), Fabien Tran(4), Hemanadhan Myneni(4), Saket Asthana(4), Peter Blaha(3), Sushant Kumar Behera(3), Arghya Ghosh(3), Dimple Rani(3), Jan Doumont(2), Leila Kalantari(2), Tomáš Rauch(2), Silvana Botti(2), Miguel A. L. Marques(2), Pritam Deb(2), A. Holas(2)