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Publications

2022

35. Metastable skyrmion phase stabilized in wider T–H region of β-Mn type Co7Zn7Mn6 chiral magnet, Y Bitla, AK Patra, R Pathak, Amrita Bhattacharya, and G A Basheed, Journal of Physics: Condensed Matter, 34 (36), 365801 (2022)



34. "A strategic high throughput search for identifying stable Li based half Heusler alloys for spintronics applications", Rohit Pathak, Parul Raghuvanshi, and Amrita Bhattacharya, Journal of Magnetism and Magnetic Materials, 553, 169244, (2022).

33. High thermoelectric performance (ZT>1) in earth-abundant Bi2S3 by band structure modification using CuCl doping", Farheen Anjum,  Dipanwita Bhattacharya, Amrita Bhattacharya, Tanmoy Maiti, communicated.

32. "A thorough descriptor search to machine learn the lattice thermal conductivity of half Heusler alloys", Dipanwita Bhattacharjee, Krishnaraj K, Deepanshi Saraswat, Parul Rani Raghuvanshi, and Amrita Bhattacharya*,
ACS Applied Energy Materials 5, 8913, (2022).

31. "Machine learning the zero point energy of stable perovskites", Krishnaraj K, Souvik Hui, Suman Mondal,  and Amrita Bhattacharya*, communicated.

30. “Orientation Dependent Interface Morphology and Oxide Stability in a Commercial
Niobium Alloy: Explaining Experimental Results with Density Functional Theory”, Ashish Dhole, Amrita Bhattacharya*, René de Kloe, Rohit Kumar Gupta, Amol A. Gokhale,  and I. Samajdar, Acta Materialia, 229, 117793 (2022).


29. "Revealing Na-segregation at Si/graphene interface and its implications towards Na-storage behavior of Si-based electrodes", Parul Raghuvanshi, Manoj Jangid, Amrita Bhattacharya* and Amartya Mukhopadhyay*, ACS applied materials and interfaces 14, 9667 (2022).

2021



28. "Synergistic Optimization of Electronic and Thermal Transport Properties for Achieving High ZT in Ni and Te Co-Substituted CoSb3", Ruchi Bhardwaj, Parul R. Raghuvanshi, S. R. Dhakate, Sivaiah Bathula, Amrita Bhattacharya* , and Bhasker Gahtori*, ACS Applied Energy Materials, 12,  14210 (2021).

27. "Tuning the thermal transport coefficient as a pathway to design efficient n-type thermoelectric half-Heusler alloys", Parul Rani Raghuvanshi, Dipanwita Bhattacharjee, and Amrita Bhattacharya*, ACS Applied Materials & Interfaces, 13 , 55060 (2021)

26. "Formation and magnetic properties of spark plasma sintered Mn3-x (x=0,1) Ga alloys", Sonam Perween, A. Rathi, Parul Rani Raghuvanshi, Amrita Bhattacharya*, P. V. Madduri, P. K. Rout, B. Sivaiah, Ajay Dhar, R. P. Pant, B. Gahtori, G. A. Basheed*, J. Chem. Phys. Sol., 154, 110050 (2021). 

25. "Ultralow lattice thermal conductivity at room temperature in Cu4TiSe4", B. Koley, A Lakshan, P. R. Raghuvanshi, C. Singh, A. Bhattacharya*, P. P. Jana*, Angewandte Chemie International Edition, 60 , 9106 (2021).

24. "Role of the Metal-Oxide Interface’s Terminating Layer on the Selective Cold Cracking of a Commercial Niobium-Hafnium-Titanium (C-103) Alloy", Ashish Dhole, Amrita Bhattacharya*, Rohit Kumar Gupta, Amol A. Gokhale and Indradev Samajdar, J. Alloys and compounds, 856, 157427, (2021).
 
 
 

23. "A high throughput search of efficient thermoelectric half-Heusler compounds", Parul R. Raghuvanshi, Suman Mondal, and Amrita Bhattacharya*, J. Mater. Chem. A, 8, 25187 (2020).

22. "Defect Engineering for Enhancement in Thermoelectric Performance of (Zr, Hf)NiSn Based N-Type Half-Heusler Alloys", Nagendra Chauhan, Parul Rani Raghuvanshi, Kriti Tyagi, Kishor Johari, Lavi Tyagi, Bhasker Gahtori*, Sivaiah Bathula*, Amrita Bhattacharya*, Subhendra Mahanti, Vidya Nand Singh, Yury Kolen'ko; Ajay Dhar*, J. Phys. Chem C., 124, 8584 (2020).
 
21. "Deviation from guest dominated glass like lattice dynamics in prototypical ternary Ba8NixGe46−x−y▢y clathrates", Amrita Bhattacharya*, J. Phys. Cond. Matter, 32, 175502 (2020).

2020

2019

20. "Phonons and lattice thermal conductivities of graphene family", Gour P. Das, Parul R. Raghuvanshi, and Amrita Bhattacharya*, Proc. Struc. Intregrity, 23, 334 (2019).

19. "The origin of glass-like phonon dynamics in binary Si and Ge clathrates-I", Amrita Bhattacharya*, Journal of Materials Chemistry C, 7, 13986 (2019).
 
18. "Compositional tailoring for realizing high thermoelectric performance in Hafnium free n-type ZrNiSn half-heusler alloys" Nagendra Singh Chauhan, S Bathula*, B Gahtori, S D Mahanti, A Bhattacharya, Avinash Vishwakarma, Ruchi Bhardwaj, and Ajay Dhar*, ACS applied materials and interfaces, 11, 47830 (2019).
 
17. "Enhancement in thermoelectric performance of single step synthesized Mg doped Cu2Se: An experimental and theoretical study" Ruchi Bhardwaj, Amrita Bhattacharya, Kriti Tyagi, Bhasker Gahtori*, Nagendra Singh Chauhan, Avinash Vishwakarma, Kishor Kumar Johari, Sivaiah Bathula*, Sushil Auluck, and Ajay Dhar*, Intermetallics 112, 106541 (2019).

16. "Tin doped Cu3SbSe4: a stable thermoelectric analogue for the mid-temperature applications", Ruchi Bhardwaj, Amrita Bhattacharya, Kriti Tyagi, Bhasker Gahtori, Nagendra Singh Chauhan, Sivaiah Bathula, Sushil Auluck, and Ajay Dhar, Materials Research Bulletin, 113, 38 (2019).

2018

 

15. "The origin of diverse lattice dynamics in the graphene family", Amrita Bhattacharya*, Parul Rani Raghuvansi, and Gour P. Das, J. Phys. Cond. Matter, 30, 355003 (2018).

14. "Modulating the lattice dynamics of n-type Heusler compounds via tuning Ni concentration", Nagendra S. Chauhan, Bhasker Gahtori, Bathula Sivaiah, Subhendra D. Mahanti, Ajay Dhar, and Amrita Bhattacharya*, Appl. Phys. Lett. 113, 013902 (2018).

2017

13. Anomalous Enhancement in Magnetization on Interstitial Doping Due to Spin Reversal in Magnetic Materials”, Nidhi SinghKritika AnandNithya Christopher Amrita Bhattacharya,  and  Avinash Kumar Srivastava,  J. Mater. Chem. C, 5, 11832 (2017).

12. “Formation of vacancies in Si/Ge Clathrates: The importance of broken symmetries”, Amrita Bhattacharya*, Christian Carbogno, Bodo Bohme, Michael Baitinger, Yuri Grin, and Matthias Scheffler, Phys. Rev. Lett. 118, 236401 (2017).

2016

11. "Unraveling the role of vacancies in the potentially promising thermoelectric clathrates Ba8ZnxGe46−x−y▢y", Amrita Bhattacharya*, and Saswata Bhattacharya, Phys. Rev. B 94, 094305 (2016).

2015

10. “Exploring N-Rich Phases in LixNy Clusters for Hydrogen Storage at Nanoscale”, Amrita Bhattacharya and Saswata Bhattacharya, The journal of physical chemistry letters, 6, 3726 (2015).

9. "A first-principles study of the III–IV–V semiconductor nanosheets", Amrita Bhattacharya, Saswata Bhattacharya, and Gour Prasad Das, Phys. Chem. Chem. Phys. 17, 1039 (2015).

2013

8. “Exploring semiconductor substrates for silicene epitaxy”, Amrita Bhattacharya, Saswata Bhattacharya, and Gour P. Das, Applied Physics Letters, 103, 123113, (2013).


7. “Designing a new class of III-IV-V semiconductor nanosheets”, A. Bhattacharya, S. Chakraborty, and G. P. Das, AIP Conference Proceedings, 850, 1512, (2013).

2012

6. “Anti-kubas type interaction in hydrogen storage on a Li decorated BHNH sheet: A first-principles based study”, S. Bhattacharya, A. Bhattacharya, and G. P. Das, The Journal of Physical Chemistry C, 116, 3840, (2012).

 

5. “Band gap engineering by functionalization of BN sheet”, A. Bhattacharya, S. Bhattacharya, and G. P. Das. Physical Review B, 85, 035415, (2012).

2011

4. “Strain-induced band-gap deformation of H/F - passivated graphene and h-BN sheet”, A. Bhattacharya, S. Bhattacharya, and G. P. Das, Physical Review B, 84, 075454, (2011).


3. “Third conformer of graphane: A first-principles density functional theory study”, A. Bhattacharya, S. Bhattacharya, C. Majumder, and G. P. Das, Physical Review B, 83, 033404, (2011).

2010

2. “First principles prediction of the third conformer of hydrogenated BN sheet”, A. Bhattacharya, S. Bhattacharya, C. Majumder, and G. P. Das, physica status solidi Rapid Research Letters, 4, 368, (2010).


1. “Transition- metal decoration enhanced room-temperature hydrogen storage in a defect-modulated graphene sheet”, A. Bhattacharya, S. Bhattacharya, C. Majumder, and G. P. Das, The Journal of Physical Chemistry C, 114, 10297, (2010).

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