Publications — Kabir Group

2026

Gate-tunable giant anomalous Hall effect in magnetic topological insulator bilayer

Basavaraja G and Mukul Kabir

arXiv:2607.17988 (2026)

Interfacial engineering and Majorana zero modes

Chandan Singh, Basavaraja G, Sreejith G J, and Mukul Kabir

arXiv (2026)

High-temperature ferromagnetism and antiferromagnetism in monolayer CrTe2: Roles of strong spin-lattice coupling and charge doping

Anupama S and Mukul Kabir

arXiv:2606.18148 (2026)

All-Electric Topological Phase Transitions in Proximity-Coupled Bilayer MnBi2Te4 Heterostructures

Basavaraja G and Mukul Kabir

arXiv:2608.01312 (2026)

Work function enhancement in ultrathin 2H-MoTe2 nanoflakes driven by the interplay of quantum confinement and dielectric screening

Arnab Bera, Partha Sarathi Rana, Basavaraja G., Sk Kalimuddin, Surabhi Saha, Satyabrata Bera, Sujan Maity, Tuhin Debnath, Deep Singha Roy, Soham Das, Suman Kalyan Pradhan, Sanjib Naskar, Mukul Kabir, and Mintu Mondal

Physical Review Applied 25, 044075 (2026)

Crystal growth and magnetic behavior of quasi-two-dimensional van der Waals rare-earth tri-iodides

Nashra Pistawala, Anupama S., Ashutosh Shukla, G. V. Pavan Kumar, Mukul Kabir, Luminita Harnagea, Sitaram Ramakrishnan, Kranthi Kumar Bestha, B. Büchner, A. U. B. Wolter, Sabine Wurmehl, Priyanshi Tiwari, Rajeev Rawat, and Surjeet Singh

Physical Review B 113, 094406 (2026)

Disproportionate influence of site disorder on the evolution of magnetic phases in the anti-Heusler alloy Al2⁢MnFe

Soumya Bhowmik, Santanu Pakhira, Ashis Kundu, V. Raghavendra Reddy, Mukul Kabir, and Chandan Mazumdar

Physical Review B 113, 014429 (2026)

2025

Acoustic phonon-restricted four-phonon interactions: impact on thermal and thermoelectric transport in monolayer h-NbN

Himanshu Murari, Subhradip Ghosh, Mukul Kabir, and Ashis Kundu

Nanoscale 17, 24301 (2025)

High-temperature antiferromagnetism in ultrathin SrRu2O6 nanosheets

Deepak K Roy and Mukul Kabir

Physical Review B 111, 134409 (2025)

Controlling Triplet-Harvesting Pathways and Nonlinear Optical Properties in Cu(I) Iodide-Based Polymers through Ligand Engineering

Joy Chatterjee, Riteeka Tanwar, Anupama S, Abhijit Chatterjee, Madan D. Ambhore, Mukul Kabir, Pankaj Mandal, and Partha Hazra

Journal of Physical Chemistry Letters 16,1549 (2025)

Electron-induced non-monotonic pressure dependence of the lattice thermal conductivity of θ-TaN

Ashis Kundu, Y. Chen, X. Yang, F. Meng, J. Carrete, Mukul Kabir, Georg K. H. Madsen, and Wu Li

Physical Review Letters 132, 116301 (2024)

2023

High transport spin polarization in the van der Waals ferromagnet Fe4 GeTe2

D. Rana, M. Bhakar, G. Basavaraja, S. Bera, N. Saini, S. K. Pradhan, M. Mondal, M. Kabir, G. Sheet

Physical Review B 107, 224422 (2023)

2022

Room-temperature ferromagnetism in two-dimensional CrBr3

Chandan K Singh and Mukul Kabir

Physical Review Materials 6, 084407 (2022)

Spin-polarized supercurrent through the van der Waals Kondo-lattice ferromagnet Fe3GeTe2

Deepti Rana, Aswini R, Basavaraja G, Chandan Patra, Sandeep Howlader, Rajeswari Roy Chowdhury, Mukul Kabir, Ravi P. Singh, and Goutam Sheet

Physical Review B 106, 085120 (2022)

Chemically Induced Surface Potential Modulation at Pd|Al2O3|Graphene Field Effect Transistors: Implications for Enhanced H2 sensing

Pooja Agarwal, Tanmay Maiti, Suvankar Purkait, Deepak Roy, Mukul Kabir, Arti Garg, Dulal Senapati, and Biswajit Karmakar

ACS Applied Nano Materials 5, 10941 (2022)

Giant Photoresponse Enhancement in Mixed-Dimensional van der Waals Heterostructure through Dielectric Engineering

Vrinda Narayanan P, Gokul M. A., Tamaghna Chowdhury, Chandan K. Singh, Shailendra Kumar Chaubey, Takashi Taniguchi, Kenji Watanabe, Mukul Kabir, G.V Pavan Kumar and Atikur Rahman

Advanced Materials Interfaces 9, 2102054 (2022)

2021

Long-range anisotropic Heisenberg ferromagnets and electrically tunable ordering

Chandan K Singh and Mukul Kabir

Physical Review B 103, 214411 (2021)

Evolution of the structural, magnetic, and electronic properties of the triple perovskite Ba3CoIr2O9

Charu Garg, Deepak Roy, M. Lonsky, P. Manuel, A. Cervellino, J, Müller, Mukul Kabir, and Sunil Nair

Physical Review B 103, 014437 (2021)

Few-Layer SrRu2O6 Nanosheets as Non-Van der Waals Honeycomb Antiferromagnets: Implications for Two-Dimensional Spintronics

Suvidyakumar Homkar, Bharat Chand, Shatruhan Singh Rajput, Sandeep Gorantla, Tilak Das, Rohit Babar, Shivprasad Patil, Rudiger Klingeler, Sunil Nair, Mukul Kabir, Ashna Bajpai

ACS Applied Nano Materials 4, 9313 (2021)

2019

van der Waals heterostructure for photocatalysis: Graphitic carbon nitride and Janus transition-metal dichalcogenides

Srilatha Arra, Rohit Babar and Mukul Kabir

Physical Review Materials 3, 095402 (2019)

Mechanistic insights on the phosphorene degradation

Rohit Babar and Mukul Kabir

Physical Review Materials 3, 074008 (2019)

High spin-polarization in the low Curie temperature complex itinerant ferromagnet EuTi1-xNbxO

S. Kamboj, D. K Roy, S. Roy, R. R Chowdhury, P. Mandal, M. Kabir, G. Sheet

Journal of Physics: Condensed Matter 31, 415601 (2019)

Tip-induced Superconductivity Coexisting with Preserved Topological Properties in Line-nodal Semimetal ZrSiS

Leena Aggarwal, Chandan K Singh, Mohammad Aslam, Ratnadwip Singha, Arnab Pariari, Sirshendu Gayen, Mukul Kabir, Prabhat Mandal, Goutam Sheet

Journal of Physics: Condensed Matter 31, 485707 (2019)

High power mechanical energy harvester based on exfoliated black phosphorous-polymer composite and its multiple applications

Sachin Kumar Singh, Subas Kumar Muduli, Dipti Dhakras, Richa Pandey, Rohit Babar, Ankur Singh, Dinesh Kabra, Mukul Kabir, Boomishankar Ramamoorthy, Satishchandra Ogale

Sustainable Energy Fuels 3, 1943 (2019)

Photocatalytic Activation and Reduction of CO2 to CH4 over Single Phase Nano Cu3SnS4: A Combined Experimental and Theoretical Study

Neha Sharma, Tilak Das, Santosh Kumar, Reshma Bhosale, Mukul Kabir, Satishchandra Ogale

ACS Applied Energy Materials 2, 5677 (2019)

Ferromagnetism in nitrogen-doped graphene

Rohit Babar and Mukul Kabir

Physical Review B 99, 115442 (2019)

Exciton in phosphorene: Strain, impurity, thickness, and heterostructure

Srilatha Arra, Rohit Babar and Mukul Kabir

Physical Review B 99, 045432 (2019)

Modulation of Ferromagnetism and transport in BxCyNz thin films via Nitrogen doping and defects

R. Mandal, R. Babar, M. Tripathi, S. Datta, R. Rawat, RJ Choudhary, M. Kabir, S. Ogale

Journal of Magnetism and Magnetic Materials 479, 67 (2019)

2018

Gate-dependent vacancy diffusion in graphene

Rohit Babar and Mukul Kabir

Physical Review B 98, 075439 (2018)

Photoluminescence quenching in self-assembled CsPbBr3 quantum dots on few layer black phosphorous sheets

Subas Muduli, Padmini Pandey, Gayathri Devatha, Rohit Babar, DC Kothari, Mukul Kabir, Pramod Pillai, Satishchandra B Ogale

Angewandte Chemie 130, 7808 (2018)

F-doped carbon nano-onion film as scaffold for highly efficient and stable Li metal anode: A novel laser direct-write process

Dhanya Puthusseri, Malik Wahid, Aniruddha Basu, Rohit Babar, Mukul Kabir, Satishchandra Ogale

Nanoscale 10, 7630 (2018)

Effect of Cyano Substitution on the Step-Edge Adsorption of Copper Phthalocyanine on Au (111)

Rejaul Sk, Srilatha Arra, Barun Dhara, Joel S Miller, Mukul Kabir, Aparna Deshpande

The Journal of Physical Chemistry C 122, 11848 (2018)

Large enhancement of superconductivity in Zr point contacts

Mohammad Aslam, Chandan Singh, Shekhar Das, Ritesh Kumar, Soumya Datta, Soumyadip Halder, Sirshendu Gayen, Mukul Kabir, Goutam Sheet

Journal of Physics: Condensed Matter 30, 255002 (2018)

Photocatalytic Activity of Phosphorene Derivatives: Coverage, Electronic, Optical and Excitonic properties

Srilatha Arra, K. R. Ramya, Rohit Babar and Mukul Kabir

The Journal of Physical Chemistry C 122, 7194 (2018)

A Combined Experimental and Computational Study of Gas Sensing by Cu3SnS4 Nanoparticulate Film: High Selectivity, Stability, and Reversibility for Room Temperature H2S Sensing

Thripuranthaka M, Neha Sharma, Tilak Das, Swapnil Varhade, Satish S. Badadhe, Musthafa Ottakam Thotiyl, Mukul Kabir, Satishchandra Ogale

Advanced Materials Interfaces 5, 1701492 (2018)

Engineering Kondo state in two-dimensional semiconducting phosphorene

Rohit Babar and Mukul Kabir

Physical Review B 97, 045132 (2018)

Enhancing the Intermolecular Interaction by Cyano Substitution in CuPc

R Sk, S Arra, B Dhara, JS Miller, M Kabir, A Deshpande

The Journal of Physical Chemistry C 122, 429 (2018)

2017

Magnetic and electronic phase crossovers in graphene nanoflakes

Shreemoyee Ganguly, Mukul Kabir, and Tanusree Saha-Dasgupta

Physical Review B 95, 174419 (2017)

Structural, Electronic, and Optical Properties of Cu2NiSnS4: A Combined Experimental and Theoretical Study toward Photovoltaic Applications

Sachin Rondiya, Nitin Wadnerkar, Yogesh Jadhav, Sandesh Jadkar, Santosh Haram, and Mukul Kabir

Chemistry of Materials 29, 3133 (2017)

2016

Transition Metal and Vacancy Defect Complexes in Phosphorene: A Spintronic Perspective

Rohit Babar and Mukul Kabir

The Journal of Physical Chemistry C 120, 14991 (2016)

High spin polarization and the origin of unique ferromagnetic ground state in CuFeSb

Anshu Sirohi, Chandan K. Singh, Gohil S. Thakur, Preetha Saha, Sirshendu Gayen, Abhishek Gaurav, Shubhra Jyotsna, Zeba Haque, L. C. Gupta, Mukul Kabir, Ashok K. Ganguli and Goutam Sheet

Applied Physics Letters 108, 242411 (2016)

Controlling adatom magnetism on bilayer graphene by external field

Dhani Nafday, Mukul Kabir, and Tanusri Saha-Dasgupta

Physical Review B 93, 045433 (2016)

Kinetics of Topological Stone-Wales Defect Formation in Single Walled Carbon Nanotube

Mukul Kabir and Krystyn. J. Van Vliet

The Journal of Physical Chemistry C 120, 1989 (2016)

Operando reduction of elastic modulus in (Pr, Ce)O2-d thin films

Jessica G. Swallow, Jae Jin Kim, Mukul Kabir, James F. Smith, Harry L. Tuller, Sean R. Bishop, Krystyn J. Van Vliet

Acta Materialia 105, 16 (2016)

2015

Manipulating magnetism of MnO nano-clusters by tuning the stoichiometry and charge state

Shreemoyee Ganguly, Mukul Kabir, Carmine Autieri and Biplab Sanyal

Journal of Physics: Condensed Matter 27, 056002 (2015)

2014

Manipulation of edge magnetism in hexagonal graphene nanoflakes

Mukul Kabir and Tanusri Saha-Dasgupta

Phys. Rev. B 90, 035403 (2014)

A real-space study of random extended defects in solids: Application to disordered Stone-Wales defects in graphene

S. Chowdhury, S. Baidya, D. Nafday, S. Halder, M. Kabir, B. Sanyal, T. Saha-Dasgupta, D. Jana, and A. Mookerjee

Physica E 61, 191 (2014)

2013

Role of oxometallic complex on OH dissociation during water oxidation: A microscopic insight from DFT

Soumyajit Sarkar, Mukul Kabir, Martha Greenblatt and Tanusri Saha-Dasgupta

Journal of Materials Chemistry A 1, 10422 (2013)

2012

Effects of shape and composition on the properties of CdS nanocrystals

Soumendu Datta, Mukul Kabir, and Tanusri Saha-Dasgupta

Physical Review B 86, 115307 (2012)

Reversible mechanism for spin crossover in transtion-metal cyanides

Mukul Kabir, and Krystyn J. Van Vliet

Physical Review B 85, 054431 (2012)

2011

Substantial reduction of Stone-Wales activation barrier in fullerene

Mukul Kabir, Swarnakamal Mukherjee, and Tanusri Saha-Dasgupta

Physical Review B 84, 205404 (2011)

Ab initio study of structural stability of small 3d late transition metal clusters: Interplay of magnetization and hybridization

S. Datta, Mukul Kabir, and T. Saha-Dasgupta

Physical Review B 84, 075429 (2011)

Engineering the magnetic properties of the Mn13 cluster by doping

S. Datta, Mukul Kabir, A. Mookerjee, and T. Saha-Dasgupta

Physical Review B 83, 075425 (2011)

Unusual structure and magnetism in manganese oxide nanoclusters

S. Ganguly, Mukul Kabir, B. Sanyal, and A. Mookerjee

Physical Review B (Rapid Communication) 83, 020411 (2011)

2010

Predicting dislocation climb and creep from explicit atomistic details

Mukul Kabir, Timothy T. Lau, David Rodney, Sidney Yip, and Krystyn J. Van Vliet

Physical Review Letters 105, 095501 (2010)

Effects of vacancy-solute clusters on diffusivity in metastable Fe-C alloys

Mukul Kabir, Timothy T. Lau, Xi Lin, Sidney Yip, and Krystyn J. Van Vliet

Physical Review B 82, 134112 (2010)

2009

Structure, reactivity and electronic properties of V-doped Co Clusters

Soumendu Datta, Mukul Kabir, Tanusri Saha-Dasgupta, and Abhijit Mookerjee

Physical Review B, 80, 085418 (2009)

A microscopic picture of Co clustering in ZnO

Diana Iusan, Mukul Kabir, Oscar Granas, Olle Eriksson, and Biplab Sanyal

Physical Review B 79, 125202 (2009)

Study of Structural Stability and Electronic Structure of Nonstoichiometric CdS Nano Clusters from First Principles

Soumendu Datta, Mukul Kabir, Tanusri Saha-Dasgupta, and D. D. Sarma

Journal of Nanoscience and Nanotechnology 9, 5489 (2009)

2008

Magnetism in small bimetallic Mn-Co clusters

S. Ganguly, M. Kabir, S. Datta, B. Sanyal, and A. Mookerjee

Physical Review B 78, 014402 (2008)

Structural stability of CdS nanoclusters from first principles

S. Datta, M. Kabir, T. Saha-Dasgupta, and D. D. Sarma

Journal of Physical Chemistry C 112, 8206 (2008)

Twist-dependent stacking energy of base-pair steps in B-DNA geometry: A density functional theory approach

S. Samanta, Mukul Kabir, B. Sanyal and D. Bhattacharya

International Journal of Quantam Chemistry 108, 1173 (2008)

2007

Structure, bonding, and magnetism of cobalt clusters from first-principles calculations

S. Datta, M. Kabir, S. Ganguly, B. Sanyal, T. Saha-Dasgupta, and A. Mookerjee

Physical Review B 76, 014429 (2007)

Emergence of noncollinear magnetic ordering in small magnetic clusters Mn_n and As@Mn_n

Mukul Kabir, D. G. Kanhere and Abhijit Mookerjee

Physical Review B 75, 214433 (2007)

2006

Structure, electronic properties, and magnetic transition in manganese clusters

Mukul Kabir, Abhijit Mookerjee and D. G. Kanhere

Physical Review B 73, 224439 (2006)

Large magnetic moments and anomalous exchange coupling in As-doped Mn clusters

Mukul Kabir, D.G. Kanhere, and Abhijit Mookerjee

Physical Review B 73, 075210 (2006)

Tight-Binding Molecular Dynamics Study of Copper Clusters

Mukul Kabir, and Abhijit Mookerjee

Nano-Scale Materials: From Science to Technology Eds., S.N.Sahu, R.K. Choudhury and P. Jena (Nova, New York, 2006)

2005

Magnetism in pure and doped manganese clusters

Mukul Kabir, Abhijit Mookerjee and D. G. Kanhere

Lecture series on computer and computational sciences, Vol-4, pp 1018-1021 (Brill Academic Publishers, The Netherlands, 2005)

2004

Copper clusters: Electonic effect dominates over geometrical effect

Mukul Kabir, Abhijit Mookerjee and A. K. Bhattacharya

European Physical Journal D 31, 477 (2004)

Structure and stability of Copper clusters: A tight-binding molecular dynamics study

Mukul Kabir, Abhijit Mookerjee and A. K. Bhattacharya

Physical Review A 69, 043203 (2004)

2003

Study of small metallic nanoparticles : An ab-initio full-potential muffin-tin orbitals based molecular dynamics study of small Cu clusters

Mukul Kabir, Abhijit Mookerjee, R. P. Datta, Amitava Banerjea and A. K. Bhattacharya

Int. J. of Mod. Phys. B 17, 2061, (2003)