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Hongyuan Li*, Ziyu Xiang*, Mit H. Naik*, Woochang Kim, Zhenglu Li, Renee Sailus, Rounak Banerjee, Takashi Taniguchi, Kenji Watanabe, Sefaattin Tongay, Alex Zettl, Felipe H. da Jornada, Steven G. Louie, Michael F. Crommie and Feng Wang

(*equal contribution)


Imaging Moiré Excited States with Photocurrent Tunneling Microscopy


Nature Materials, in press (2023)

Sandhya Susarla*, Mit H Naik*, Daria D Blach, Jonas Zipfel, Takashi Taniguchi, Kenji Watanabe, Libai Huang, Ramamoorthy Ramesh, Felipe H da Jornada, Steven G Louie, Peter Ercius, and Archana Raja

(*equal contribution)


Hyperspectral imaging of excitons within a moiré unit-cell with a sub-nanometer electron probe


Science, 378, 6625, 1235-1239 (2022) 

Mit H. Naik*, Emma C. Regan*, Zuocheng Zhang*, Yang-hao Chan, Zhenglu Li, Danqing Wang, Yoseob Yoon, Chin Shen Ong, Wenyu Zhao, Sihan Zhao, M. Iqbal Bakti Utama, Beini Gao, Xin Wei, Mohammed Sayyad, Kentaro Yumigeta, Kenji Watanabe, Takashi Taniguchi, Sefaattin Tongay, Felipe H. da Jornada, Feng Wang and Steven G. Louie

(*equal contribution)


Nature of novel moiré exciton states in WSe2/WS2 heterobilayers


Nature 609, 52–57 (2022)


Hongyuan Li*, Shaowei Li*, Mit H. Naik*, Jingxu Xie, Xinyu Li, Jiayin Wang, Emma Regan, Danqing Wang, Wenyu Zhao, Sihan Zhao, Salman Kahn, Kentaro Yumigeta, Mark Blei, Takashi Taniguchi, Kenji Watanabe, Sefaattin Tongay, Alex Zettl, Steven G. Louie, Feng Wang and Michael F. Crommie

(*equal contribution)


Imaging moiré flat bands in three-dimensional reconstructed WSe2/WS2 superlattices

Nature Materials, 20, 945–950 (2021)


Mit H. Naik, Sudipta Kundu, Indrajit Maity, and Manish Jain


Origin and Evolution of Ultraflatbands in Twisted Bilayer Transition Metal Dichalcogenides: Realization of Triangular Quantum Dots

Phys. Rev. B 102, 075413 (2020)


Mit H. Naik and Manish Jain


KolmogorovCrespi Potential For Multilayer Transition-Metal Dichalcogenides: Capturing Structural Transformations in Moiré Superlattices

The Journal of Physical Chemistry C 123, 9770 (2019)


Mit H. Naik and Manish Jain


Ultraflatbands and Shear Solitons in Moiré Patterns of Twisted Bilayer Transition Metal Dichalcogenides

Phys. Rev. Lett. 121, 266401 (2018)


Mit H. Naik and Manish Jain


Substrate screening effects on the quasiparticle band gap and defect charge transition levels in MoS2

Phys. Rev. Materials 2, 084002 (2018)


Mit H. Naik and Manish Jain


CoFFEE: Corrections For Formation Energy and Eigenvalues for charged defect simulations


Computer Physics Communications 226, 114 (2018) 


Mit H. Naik and Manish Jain

Origin of layer dependence in band structures of two-dimensional materials


Phys. Rev. B 95, 165125 (2017)

First-author publications


Chen Hu, Mit H. Naik, Jiawei Ruan, Yang-hao Chan and Steven G. Louie


Light-induced shift current vortex crystals in moiré heterobilayers

Proc. Natl. Acad. Sci., accepted (2023)


Chen Hu, Mit H. Naik, Yang-hao Chan and Steven G. Louie


Excitonic interactions and mechanism for ultrafast interlayer photoexcited response in van der Waals heterostructures


Phys. Rev. Lett. accepted (2023)arXiv:2305.17335


Yang-hao Chan, Jonah B. Haber, Mit H. Naik, Jeffrey B. Neaton, Diana Y. Qiu, Felipe H. da Jornada, and Steven G. Louie


Exciton Lifetime and Optical Line Width Profile via Exciton–Phonon Interactions: Theory and First-Principles Calculations for Monolayer MoS2

Nano Letters 23, 9, 3971–3977 (2023)


Sudipta Kundu, Mit H. Naik, H. R. Krishnamurthy, and Manish Jain


Moiré induced topology and flat bands in twisted bilayer WSe2: A first-principles study

Phys. Rev. B 105, L081108 (2022)


Hongyuan Li, Shaowei Li, Mit H. Naik, Jingxu Xie, Xinyu Li, Emma Regan, Danqing Wang, Wenyu Zhao, Kentaro Yumigeta, Mark Blei, Takashi Taniguchi, Kenji Watanabe, Sefaattin Tongay, Alex Zettl, Steven G. Louie, Michael F. Crommie, and Feng Wang

Imaging local discharge cascades for correlated electrons in WS2/WSe2 moiré superlattices

Nature Physics 17, 1114–1119 (2021)


Saismit Naik, Mit H. Naik, Indrajit Maity and Manish Jain


 TWISTER: Construction and structural relaxation of commensurate moiré superlattices

Computer Physics Communications, 271, 108184 (2021)


Indrajit Maity, Mit H. Naik, Prabal K. Maiti, H. R. Krishnamurthy and Manish Jain


Phonons in twisted transition-metal dichalcogenide bilayers: Ultrasoft phasons and a transition from a superlubric to a pinned phase

Phys. Rev. Research 2, 013335 (2020) 


Sudipta Kundu, Mit H. Naik, and Manish Jain


DFT+GW Study of Charge Transition Levels of Point Defects in Mono and Bi-layer Phosphorene

Phys. Rev. Materials 4, 054004 (2020)


S. Nayak, Mit H. Naik, M. Jain, U. V. Waghmare, and S. M. Shivaprasad

First-principles theoretical analysis and electron energy loss spectroscopy of vacancy defects in bulk and nonpolar (1010) surface of GaN

Journal of Vacuum Science & Technology A 38, 063205 (2020) 


Anomitra Sil, Devendra S. Negi, Mit H. Naik, Manish Jain, Ranjan Datta, Rajeev Ranjan, and P. S. Anil Kumar

Large intrinsic magnetization in an epitaxial BiFeO3/NdGaO3system


Europhysics Letters 126, 57003 (2019)


Tanweer Ahmed, Mit H. Naik, Simran Kumari, Smriti P. Suman, Rahul Debnath, Sudipta Dutta, Umesh Waghmare, Manish Jain, Arindam Ghosh

Thermodynamically stable octahedral MoS2 in van der Waals hetero-bilayers

2D Materials 6 (4), 041002 (2019)


Sahil Tippireddy, Raju Chetty, Krushna Kumari Raut, Mit H. Naik, Prashanta K. Mukharjee, Manish Jain, R. Nath, Krzysztof Wojciechowski, and Ramesh Chandra Mallik

Electronic and thermoelectric properties of Zn and Se double substituted tetrahedrite


Phys. Chem. Chem. Phys. 20, 28667 (2018)


Sahil Tippireddy, Raju Chetty, Mit H. Naik, Manish Jain, Kamanio Chattopadhyay, and Ramesh Chandra Mallik

Electronic and Thermoelectric Properties of Transition Metal Substituted Tetrahedrites


The Journal of Physical Chemistry C 122, 8735 (2018)


Anomitra Sil, Mit H. Naik, Rajeev Ranjan, and P. S. Anil Kumar


Tuning the crystallographic orientation and magnetic properties of multiferroic CuO epitaxial film on single crystalline SrTiO3 substrates

Journal of Applied Physics 124, 085303 (2018)


R. Chetty, A. Bali, M.H. Naik, G. Rogl, P. Rogl, M. Jain, S. Suwas, and R.C. Mallik

Thermoelectric properties of Co substituted synthetic tetrahedrite


Acta Materialia 100, 266 (2015)


Manabendra Kuiri, Chandan Kumar, Biswanath Chakraborty, Satyendra N Gupta, Mit H Naik, Manish Jain, A K Sood, and Anindya Das

Probing 2D black phosphorus by quantum capacitance measurements


Nanotechnology 26, 485704 (2015)

Other notable publications

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