Hena Das


Hena Das




Dr. Hena Das is a specially appointed Associate Professor at the WRHI and Laboratory for Materials and Structures in the Tokyo Institute of Technology. Having earned her Ph.D. from the University of Calcutta, she has held positions of Research Associate in the Cornell University, the Massachusetts Institute of Technology (MIT) and the University of California, Berkley, USA. A theoretical condensed matter physicist by training, her research interests and activities are focused on ab initio theoretical study of various properties of materials at the level of atoms and electrons. DAS group aims to develop quantitative guidelines to tailor properties of materials in order to design novel materials/phenomena.


Given the interdisciplinary nature of my research work, I am looking forward to working in collaboration with eminent faculties of diverse academic backgrounds at Tokyo Tech. From WHRI, I also expect to get a great international and interdisciplinary exposure in order to strengthen my academic network and build partnerships with fellow scientists working on related areas all over the world.


  • We predicted several new structural phases of LixNix′O2 system within a fixed FCC anion lattice which form during battery charge-discharge process [Chem. Mater. 29, 7840 (2017)] and have a significant bearing upon the performance of Li-ion cathode materials.

  • We designed new hexagonal transition metal oxide superlattices where ferroelectricity and ferromagnetism coexist near room temperature [Nature 537, 523 (2016) ].

  • We predicted topologically protected magnetoelectric vortex domain structures in YMnO3-type geometric ferroelectrics, which has been realized in EnMnO3 under magnetic field [Nature Communications 5, 2998 (2014), Nature Materials 13, 163-167 (2014) ].


2011 – 2015

Post-doctorate research associate, School of Applied and Engineering Physics, Cornell University
4, 2015 – 9, 2015 Post-doctorate research associate, Department of Materials Science and Engineering, Massachusetts Institute of Technology (MIT)

2015 – 2017

Associate Specialist, Department of Materials Science and Engineering, University of California, Berkeley

2017 – 2018

Research Associate, School of Applied and Engineering Physics, Cornell University

2018 –

Specially Appointed Associate Professor, Tokyo Institute of Technology


 Xubin Ye, Jianfa Zhao, Hena Das†, Denis Sheptyakov, Junye Yang, Yuki Sakai, Hajime Hojo, Zhehong Liu, Long Zhou, Lipeng Cao, Takumi Nishikubo, Shogo Wakazaki, Cheng Dong, Xiao Wang, Zhiwei Hu, Hong-Ji Lin, Chien-Te Chen, Christoph Sahle, Anna Efiminko, Huibo Cao, Stuart Calder, Ko Mibu, Michel Kenzelmann, Liu Hao Tjeng, Runze Yu, Masaki Azuma, Changqing Jin, and Youwen Long,
Observation of novel charge ordering and spin reorientation in perovskite oxide PbFeO3,
Nature Communications 12, 1917 (2021), †equally contributing first author


Monirul Shaikh, Aafreen Fathima, Swamynadhan M J, Hena Das∗, Saurabh Ghosh,
An investigation into cation ordered magnetic polar double perovskite oxides, 
Chem. Mater. 33, 1594-1606 (2021), ∗ corresponding author 


Kotaro Ohashi, Kei Shigematsu, Hena Das∗, Kazumasa Yamamoto, Hirofumi Tsukasaki, Shigeo Mori, and Masaki Azuma,
Lithium Ion Conduction in a Cation-Deficient Quadruple Perovskite LiCuTa3O9 Epitaxial Thin Film: Theoretical and Experimental Investigations, 
Chem. Mater. 32, 9753-9760 (2020), ∗ corresponding author 


Shiyu Fan, Hena Das, Alejandro Rebola, Kevin A. Smith, Julia Mundy, Charles Brooks, Megan E. Holtz, David A. Muller, Craig J. Fennie, Ramamoorthy Ramesh, Darrell G. Schlom, Stephen McGill and Janice L. Musfeldt,
Site-specific spectroscopic measurement of spin and charge in (LuFeO3)m/(LuFe2O4)1 multi- ferroic superlattices,
Nature Communications 11, 5582 (2020)


Kosuke Takiguchi, Yuki K. Wakabayashi, Hiroshi Irie, Yoshiharu Krockenberger, Takuma Otsuka, Hiroshi Sawada, Sergey A. Nikolaev, Hena Das, Masaaki Tanaka, Yoshitaka Taniyasu and Hideki Yamamoto,
Quantum transport evidence of Weyl fermions in an epitaxial ferromagnetic oxide,
Nature Communications 11, 4969 (2020) 


Shogo Wakazaki, Takumi Nishikubo, Yuki Sakai, Kei Shigematsu, Hena Das, Depei Zhang, Qiang Zhang, Masaaki Matsuda and Masaki Azuma, 
Stabilized Charge, Spin, and Orbital Ordering by the 6s2 Lone Pair in Bi0.5Pb0.5MnO3,
Inorg. Chem., 59, 13390-13397 (2020)


Yuki Sakai, Takumi Nishikubo, Takahiro Ogata, Hayato Ishizaki, Takashi Imai, Masaichiro Mizumaki, Takashi Mizokawa Akihiko Machid, Tetsu Watanuk, Keisuke Yokoyama, Yoichi Okimoto, Shin-ya Koshihara, Hena Das, and Masaki Azuma,
Polar-Nonpolar Phase Transition Accompanied by Negative Thermal Expansion in Perovskite- Type Bi1−xPbxNiO3,
Chem. Mater. 31, 4748-4758 (2019)


Hena Das, Alexander Urban, Wenxuan Huang and Gerbrand Ceder,
First-principles simulation of the (Li-Ni-Vacancy)O phase diagram and its relevance for the surface phases in Ni-rich Li-ion cathode materials,
Chem. Mater. 29, 7840-7851 (2017)


Julia A. Mundy,…..,Hena Das et. al.,
Atomically engineered ferroic layers yield a room- temperature magnetoelectric multiferroic,
Nature 537, 523527 (2016)


Hena Das, Alex Wysocki, Yanan Geng, Weida Wu and Craig J Fennie,
Bulk magnetoelectricity in the hexagonal manganites and ferrites,
Nature Communications 5, 2998 (2014)


Yanan Geng, Hena Das, Aleksander L. Wysocki, N. Lee, Y.J. Choi, S-W. Cheong, M. Mostovoy, Craig J. Fennie, and Weida Wu,
Direct visualization of magnetoelectric domains,
Nature Materials 13, 163-167 (2014)


Hena Das, G. Sangiovanni, A. Valli, K. Held and T. Saha-Dasgupta,
Size control of charge-orbital order in half-doped manganites,
Phys. Rev. Lett. 107, 197202 (2011)


Hena Das, U. V Waghmare, T. Saha-Dasgupta and D. D. Sarma,
Electronic structure, phonons and dielectric anomaly in ferromagnetic insulating double perovskite La2NiMnO6,
Phys. Rev. Lett. 100, 186402 (2008)