Publication

Google Scholar

66. Antipolar and short and long-range magnetic ordering in quasi-two-dimensional AgCrP2S6, Chaitanya B Auti, Atul G Chakkar, Shantanu Semwal, Sebastian Selter, Yuliia, Shemerliuk, Bernd Büchner, Saicharan Aswartham, Koushik Pal, Pradeep Kumar, arXiv:2505.12324.

65. Atomistic origin of low thermal conductivity in quaternary chalcogenides Cu(Cd, Zn)2InTe4, Nirmalya Jana, Amit Agarwal, Koushik Pal, arXiv:2510.09040v1.

64. Data-driven Discovery of Novel High-performance Quaternary Chalcogenide Photovoltaics, Nikhil Singh, Mohammad Ubaid, Pabitra Kumar Nayak, Jiangang He, Dibyajyoti Ghosh, Chris Wolverton, Koushik Pal, arXiv:2507.15430.

63.  Intrinsic Relaxor Ferroelectric Driven Ultralow Glassy Thermal Conductivity in AgPbSbSe3, Vaishali Taneja, Shantanu Semwal, Debattam Sarkar, Abdul Ahad, Monika Bhakar, Moinak Dutta, Diptikanta Swain, Goutam Sheet, Koushik Pal, Umesh V. Waghmare, and Kanishka Biswas,  Accepted in the Journal of the American Chemical Society xxx, xxxxxx (2025).

62. Interplay of phonons, intertwined density waves, and induced spin density wave in trilayer nickelates Pr4-xLaxNi3O10, Sonia Deswal, Dibyata Rout, Nirmalya Jana, Koushik Pal, Surjeet Singh and Pradeep Kumar, Accepted in Physical Review B (2025).

61. Concerted Rattling-induced strong anharmonicity and phonon coherence lead to ultralow glasslike thermal conductivity in TlAgTe,  Shantanu Semwal, Yi Xia, Chris Wolverton, and Koushik Pal, Accepted in Physical Review B  112, 214109 (2025).

60. Doping-induced ferromagnetism in pyrochlore titanate, Dipak Sahu, Koushik Pal, Digbijaya Palai, Pradip K. Maji, Debakanta Samal, and Chanchal Sow, Physical Review B 112,  144412 (2025).

59. Strong acoustic phonon suppression leads to ultralow thermal conductivity and enhanced thermoelectric performance  in BaCuGdTe3, Jyoti Duhan, Chris Wolverton, and Koushik Pal, Physical Review Applied (Letter) 24, L041003 (2025). 

58. Raman signature of multiple phase transitions and quasi-particle excitations in putative Kitaev spin liquid candidate Na2Co2TeO6, Atul G Chakkar, Chaitanya B Auti, Deepu Kumar, Nirmalya Jana, Koushik Pal, Pradeep Kumar, Physical Review B 112, 144417 (2025).

57. Conduction Band Convergence and Modular Nanostructures: Driving High Thermoelectric Performance in n-type PbSe, Indrajit Haldar, Vaishali Taneja, Naveen Goyal, Mohammad Ubaid, Debattam Sarkar, Dinesh Kumar Kedia, Kumar Saurabh, Surjeet Singh, Koushik Pal, N. Ravishankar, and Kanishka Biswas, Angew. Chem. Int. Ed. 64,  e202510305 (2025).

56. Interplay between Lone Pair Stereochemical Activity and Structural Anisotropy Drives Ultralow Thermal Conductivity in Layered AGeS3 (A = Pb, Sn) Metal Sulfides, Paribesh Acharyya, Koushik Pal, Xingchen Shen, Bin Zhang, Bernard Raveau, Sara Passuti, Philippe Boullay, Pierric Lemoine, Bernard Malaman, Christophe Candolfi, Adele Renaud, Xiaoyuan Zhou, Tristan Barbier, and Emmanuel  Guilmeau, Journal of the American Chemical Society 147, 25806–25814 (2025).

55.  High-throughput and Data-Driven Search for Stable Optoelectronic AMSe3 Materials, Nikhil Singh,   Kushal Samanta,   Suneet K. Maharana,   Koushik Pal,   Sergei Tretiak,   Anjana Talapatra  and  Dibyajyoti Ghosh, Journal of Materials Chemistry A 13, 9192-9210 (2025). 

54. Glassy Thermal Transport Triggers Ultra-High Thermoelectric Performance in GeTe, Debattam Sarkar, Subarna Das, Vaishali Taneja, Manisha Samanta, Koushik Jagadish, Animesh Das, Monika Bhakar, Matukumilli V. D. Prasad, Suresh Perumal, Goutam Sheet, Dirtha Sanyal, Koushik Pal, N. Ravishankar, Umesh V. Waghmare, and Kanishka Biswas, Advanced Materials, 37, 2417561 (2025).

53. Short and long-range magnetic ordering and emergent topological transition in (Mn1-x Nix)2P2S6, Nasaru Khan, Deepu Kumar, Shantanu Semwal, Yuliia Shemerliuk, Bernd Büchner, Koushik Pal, Saicharan Aswartham, and Pradeep Kumar, Scientific Reports, 15, 4438 (2025).

52. Impact of Pressure on Metavalent Bonding in BiTe influencing Electronic Topological Transitions, Riddhimoy Pathak, Anjana Joseph, Prabir Dutta, Boby Joseph, Jyoti Duhan, Sushmita Chandra, Chandrabhas Narayana, Koushik Pal, Kanishka Biswas, Angewwandte Chemie, 64, e202422652 (2025).

51. Wide-ranging Predictions of New Stable Compounds Powered by Recommendation Engines, Sean D. Griesemer, Bianca Baldassarri, Ruijie Zhu, Jiahong Shen, Koushik Pal, Cheol Woo Park, and Chris Wolverton,  Science Advances 11, eadq1431 (2025).

50. Lone Pair Induced 1D Character and Weak Cation-anion Interactions: Two Ingredients for Low Thermal Conductivity in Mixed-anion Metal Chalcohalide CuBiSCl2, Xingchen Shen, Koushik Pal, Paribesh Acharyya,  Bernard Raveau, Philippe Boullay, Oleg Lebedev,  Carmelo Prestipino,   Susumu Fujii, Chun-Chuen Yang,  I-Yu Tsao, Adèle Renaud, Pierric Lemoine, Christophe Candolfi, Emmanuel Guilmeau, Journal of the American Chemical Society 146, 29072 (2024).

49. Antibonding Valence States Induce Low Lattice Thermal Conductivity in Metal Halide Semiconductors, Mohammad Ubaid, Paribesh Acharyya, Suneet K. Maharana, Kanishka Biswas and Koushik Pal, Applied Physics Reviews 11, 041313 (2024).

Got selected as a Featured Article by the journal.

48. Visible-light Photodetection by Zero-Dimensional Hybrid Indium-Halide with Minimal Structural Distortion and Reduced Band Gap, Anamika Mondal, Mohammad Ubaid, Shresth Gupta, Koushik Pal and Sayan Bhattacharyya, Angewandte Chemie e202412779 (2024).

47. Evidence of Lone Pair Crafted Emphanisis in Ruddlesden Popper Halide Perovskite, Ivy Maria, Paribesh Acharyya, David Voneshen,  Moinak Dutta, Abdul Ahad, Martin Etter, Tanmoy Ghosh, Koushik Pal, and Kanishka Biswas,  Advanced Materials 36, 2408008, (2024).

46.  Electron-Phonon Interaction Mediated Gigantic Enhancement of Thermoelectric Power Factor Induced by Topological Phase Transition, Zhi Li, Koushik Pal, Huiju Lee, Chris Wolverton and Yi Xia,  Nano Letters 24, 5816 (2024).

45. Structure Low Dimensionality and Lone Pair Stereochemical Activity, the Key to Low Thermal Conductivity in Pb-Sn-S System, Paribesh  Acharyya, Koushik Pal,  Bin Zhang, Tristan Barbier, Carmelo Prestipino, Philippe Boullay, Bernard Raveau, Pierric Lemoine, Bernard Malaman, Xingchen Shen, Maxime Vaillant, Adèle Renaud, Blas Uberuaga, Christophe Candolfi, Xiaoyuan  Zhou,  Emmanuel Guilmeau, Journal of the American Chemical Society  146,  13477–13487 (2024).

44. Interplay of Topology and Antiferromagnetic Order in Two-dimensional van der Waals Crystals of (NixFe1-x)2P2S6, Nasaru Khan, Deepu Kumar, Vivek Kumar, Yuliia Shemerliuk, Sebastian Selter, Bernd Büchner, Koushik Pal, Saicharan Aswartham, and Pradeep Kumar, 2D Materials 11, 035018 (2024).

43. High Thermoelectric Performance in Phonon-Glass Electron-Crystal Like AgSbTe2, Vaishali Taneja,  Subarna Das, Kapildeb Dolui, Tanmoy Ghosh,  Animesh Bhui, Usha Bhat,  Dinesh K. Kedia, Surjeet Singh,  Koushik Pal,  Ranjan Datta, and Kanishka Biswas, Advanced Materials 36, 2307058 (2024).

Got highlighted in Deccan Herald: https://www.deccanherald.com/science/new-material-with-metal-glass-properties-promises-efficient-energy-conversion-2925536

42. A unified understanding of minimum lattice thermal conductivity, Yi Xia, Dale Gaines, Jiangang He, Koushik Pal, Zhi Li, Mercouri G Kanatzidis, Vidvuds Ozoliņš, Chris Wolverton, Proceedings of the National Academy of Sciences 120, e2302541120 (2023).

41. Extended Antibonding States and Phonon Localization Induce Ultralow Thermal Conductivity in Low Dimensional Metal Halide, Paribesh Acharyya, Koushik Pal, Abdul Ahad, Debattam Sarkar, Kewal Singh Rana, Moinak Dutta, Ajay Soni, Umesh V. Waghmare, and Kanishka Biswas,   Advanced Functional Materials 145, 1349 (2023).

40. Evidence of Pressure-induced Multiple Electronic Topological Transitions in BiSe, Sushmita Chandra,  Janky Sunil, Prabir Dutta,  Koushik Pal,  Manisha Samanta,  Boby Joseph, Chandrabhas Narayana,b and Kanishka Biswas, Materials Today Physics 30, 100956 (2023).

39. Strong Antibonding I (p)-Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI4, Anustoop Das, Koushik Pal, Paribesh Acharya, Subarna Das, Krishnendu Maji, Kaniska Biswas, Journal of the American Chemical Society 145, 1349-1358 (2023).

38. ACuZrQ3 (A = Rb, Cs; Q = S, Se, Te): Direct Bandgap Semiconductors and Metals with Ultra Low Thermal Conductivity, Craig Laing, Benjamin Weiss, Koushik Pal, Michael Quintero, Hongyao Xie, Xiuquan Zhou, Jiahong Shen, Duck Young Chung, Chris  Wolverton,  Mercouri Kanatzidis, Chemistry of Materials 18, 8389 (2022).

37. Glassy Thermal Conductivity in Cs3Bi2I6Cl3 Single Crystal, Paribesh Acharyya,  Tanmoy Ghosh,  Koushik Pal, Kewal Singh Rana,  Moinak Dutta, Diptikanta Swain,  Martin Etter,  Ajay Soni,  Umesh V. Waghmare,  and Kanishka Biswas, Nature Communications, 13, 5053  (2022).

36. Transuranium Sulfide via the Boron Chalcogen Mixture Method and Reversible Water Uptake in the NaCuTS3 Family, Anna Berseneva, Vladislav Klepov, Koushik Pal, Kelly Seeley, Daniel Koury, Joseph Schaeperkoetter, Joshua Wright, Scott; Misture, Mercouri Kanatzidis, Christopher Wolverton, Artem Gelis, Hans-Conrad  zur Loye,   Journal of the American Chemical Society 144, 13773 (2022).

35. Identification of High-Dielectric Constant Compounds from Statistical Design, Abhijith Gopakumar, Koushik Pal, Chris Wolverton,  npj Computational Materials 8, 146 (2022) [Nature Research].

34. Intrinsically Low Thermal Conductivity in the n-Type Vacancy-Ordered Double Perovskite Cs2SnI6: Octahedral Rotation and Anharmonic Rattling, Animesh Bhui, Tanmoy Ghosh,  Koushik Pal,  Kewal Singh Rana,  Kaushik Kundu,  Ajay Soni, and  Kanishka Biswas, Chemistry of Materials (2022).

33. Scale-invariant Machine-learning Model Accelerates the Discovery of Quaternary Chalcogenides with Ultralow Lattice Thermal Conductivity, Koushik Pal, Cheol Woo Park, Yi Xia, Jiahong Shen, Chris Wolverton, npj Computational Materials 8, 48 (2022)  [Nature Research].

32. Weak-Bonding Elements Lead to High Thermoelectric Performance in BaSnS3 and SrSnS3: A First-Principles Study, Zhi Li, Hongyao Xie, Yi Xia,  Shiqiang Hao,  Koushik Pal, Mercouri G. Kanatzidis, Chris Wolverton, and Xinfeng Tang, Chemistry of Materials 34, 1289 (2022).

31. Accelerated Discovery and Design of Ultralow Lattice Thermal Conductivity Materials Using Chemical Bonding Principles, Jiangang He, Yi Xia, Wenwen Lin, Koushik Pal, Yizhou Zhu, Mercouri G. Kanatzidis, and Chris Wolverton, Advanced Functional Materials 2108532, 1-15, (2021)

30. Emphanisis in Cubic (SnSe)0.5(AgSbSe2)0.5: Dynamical off-centering of Anion Leads to Low Thermal Conductivity and High thermoelectric Performance, Moinak Dutta, Koushik Pal, Martin Etter, Umesh V Waghmare, Kanishka Biswas,  Journal of the American Chemical Society 143, 40, 16839–16848 (2021).

29. Accelerated Discovery of a Large Family of Quaternary Chalcogenides with Very Low  Lattice Thermal Conductivity, Koushik Pal, Yi Xia,  Jiahong Shen,  Jiangang He,  Yubo Luo,  Mercouri G. Kanatzidis,  and Chris Wolverton, npj Computational Materials 7, 82 (2021) [Nature Research].

28. Microscopic mechanism of unusual lattice thermal transport in TlInTe2, Koushik Pal, Yi Xia and Chris Wolverton, npj Computational Materials 7, 5 (2021) [Nature Research].

27. High-throughput study of lattice thermal conductivity in binary rocksalt and zincblende compounds including higher-order anharmonicity,  Yi Xia, Vinay I. Hegde, Koushik Pal, Xia Hua, Dale Gaines, Shane Patel, Jiangang He, Muratahan Aykol, and Chris Wolverton, Physical Review X 10, 041029 (2020).

26. Intrinsic Ultralow Thermal Conductivity in Layered Ruddlesden-Popper Perovskite Cs2PbI2Cl2: Elastic Softness,  Localized Vibrations,  Lone Pair Induced Dynamic Octahedral Distortion, Paribesh Acharyya, Tanmoy Ghosh, Koushik Pal, Kaushik Kundu, Kewal Sing Rana, Juhi Pandey,  Ajay Soni, Umesh V. Waghmare, and Kanishka Biswas,  Journal of the American Chemical Society 36, 142, 15595-15603 (2020).

25.  Contrasting SnTe–NaSbTe2 and SnTe–NaBiTe2 Thermoelectric Alloys: High Performance Facilitated by Increased Cation Vacancies and Lattice Softening,  Tyler J. Slade, Koushik Pal, Jann A. Grovogui, Trevor P. Bailey, James Male, Jason F. Khoury, Xiuquan Zhou, Duck Young Chung, G. Jeffrey Snyder, Ctirad Uher, Vinayak P. Dravid, Chris Wolverton, Mercouri G. Kanatzidis,  Journal of the American Chemical Society 142, 28, 12524–12535 (2020).

24. Intrinsically Low Thermal Conductivity and High Carrier Mobility in Dual Topological Quantum Material, n‐Type BiTe, Manisha Samanta, Koushik Pal, Umesh V Waghmare, Kanishka Biswas, Angewandte Chemie 132 (12), 4852-4859 (2020).     (selected as a Very Important Paper in the field)

23. Particlelike Phonon Propagation Dominates Ultralow Lattice Thermal Conductivity in Crystalline Tl3VSe4, Yi Xia, Koushik Pal, Jiangang He, Vidvuds Ozoliņš, Chris Wolverton, Physical Review Letters 124 (6), 065901 (2020).

22. Unraveling the Structure-Valence-Property Relationships in AMM′ Q3 Chalcogenides with Promising Thermoelectric Performance, Koushik Pal, Xia Hua, Yi Xia, Chris Wolverton, ACS Applied Energy Materials, 3, 3, 2110-2119 (2020).                 (Selected as a cover page of the journal)

21.  A New Three-Dimensional Subsulfide Ir2In8S with Dirac Semimetal Behavior, Jason F. Khoury, Alexander J. E.  Rettie, Mojammel A. Khan, Nirmal J. Ghimire, Inigo Robredo, Jonathan E. Pfluger, Koushik Pal, Chris Wolverton, Aitor Bergara, Jidong Samuel Jiang, Leslie M Schoop, Maia G Vergniory, J. F.  Mitchell, Duck Young Chung, Mercouri G Kanatzidis, Journal of the American Chemical Society 141 (48), 19130-19137 (2019).

20. Intrinsically Low Lattice Thermal Conductivity Derived from Rattler Cations in an AMM′Q3 Family of Chalcogenides, Koushik Pal, Yi Xia, Jiangang He, Chris Wolverton, Chemistry of Materials 31 (21), 8734-8741 (2019).

19.  Anomalous temperature dependence of optical and acoustic phonons in Bi2Se3 arising from stacking faults, Gyan Prakash, Koushik Pal, Umesh V. Waghmare, Ajay K. Sood, Physica Scripta 94 (11), 115706 (2019).

18.  High thermoelectric performance in BaAgYTe3  via low lattice thermal conductivity induced by bonding heterogeneity, Koushik Pal, Yi Xia, Jiangang He, Chris Wolverton, Physical Review Materials 3 (8), 085402 (2019).

17. Bonding heterogeneity and lone pair induced anharmonicity resulted in ultralow thermal conductivity and promising thermoelectric properties in n-type AgPbBiSe3, Moinak Dutta, Koushik Pal, Umesh V Waghmare, Kanishka Biswas, Chemical science 10 (18), 4905-4913 (2019).​

16. Bonding Hierarchy Gives Rise to High Thermoelectric Performance in Layered Zintl Compound BaAu2P4, Koushik Pal, Jiangang He, Chris Wolverton, Chemistry of Materials 30 (21), 7760-7768 (2018).

15. Localized Vibrations of Bi Bilayer Leading to Ultralow Lattice Thermal Conductivity and High Thermoelectric Performance in Weak Topological Insulator n-Type BiSe, Manisha Samanta, Koushik Pal, Pravas Pal, UV Waghmare, Kanishka Biswas, Journal of the American Chemical Society 140 (17), 5866-5872 (2018). (Selected as a cover page of the journal)

14. Pressure-induced Lifshitz and structural transitions in NbAs and TaAs: Experiments and theory, Satyendra N. Gupta, Anjali Singh*, Koushik Pal*, DVS Muthu, Chandra Shekhar, MA ElGhazali, Pavel Naumov, Sergey Medvedev, Claudia Felser, Umesh V, Waghmare, Ajay K. Sood, Journal of Physics: Condensed Matter, 30, 18 (2018).

13. Pressure-induced Lifshitz transition in NbP: Raman, x-ray diffraction, electrical transport, and density functional theory, Satyendra N Gupta, Anjali Singh*, Koushik Pal*, DVS Muthu, Chandra Shekhar, Yanpeng Qi, Pavel G Naumov, Sergey A Medvedev, Claudia Felser, Umesh V. Waghmare, Ajay K. Sood, Physical Review B 97 (6), 064102 (2018).

12. Pressure induced band inversion, electronic and structural phase transitions in InTe: A combined experimental and theoretical study, Vincent Rajaji, Koushik Pal, Saurabh C. Sarma, Boby Joseph, Sebastian C. Peter, Umesh V. Waghmare, Chandrabhas Narayana,  Physical Review B  97, 155158 (2018).

11. Photochemical water splitting by bismuth chalcogenide topological insulators, Catherine R Rajamathi, Uttam Gupta, Koushik Pal, Nitesh Kumar, Hao Yang, Yun Sun, Chandra Shekhar, Binghai Yan, Stuart Parkin, Umesh V. Waghmare, Claudia Felser, CNR Rao, ChemPhysChem 18 (17), 2322-2327 (2017).

10. Raman anomalies as signatures of pressure induced electronic topological and structural transitions in black phosphorus: Experiments and theory, Satyendra N Gupta, Anjali Singh, Koushik Pal, Biswanath Chakraborti, DVS Muthu, Umesh V. Waghmare, Ajay K. Sood, Physical Review B 96 (9), 094104 (2017).

9. Origin of the thermal expansion anomaly in layered  topological insulators: Ultrafast time-resolved pump-probe experiments and theory, Gyan Prakash, Koushik Pal, Manish Jain, Umesh V Waghmare, AK Sood, Physical Review B 96 (7), 075109 (2017).

8. Emergence of a weak topological insulator from the Bi x Se y family, Kunjalata Majhi*,Koushik Pal*, H Lohani, A Banerjee, P Mishra, AK Yadav, R Ganesan, BR Sekhar, Umesh V Waghmare, PS Anil Kumar, Applied Physics Letters 110 (16), 162102 (2017).

7. Intrinsic Rattler-Induced Low Thermal Conductivity in Zintl Type TlInTe2, Manoj K. Jana, Koushik Pal, Avinash Warankar, Pankaj Mandal, Umesh V. Waghmare, Kanishka Biswas, Journal of the American Chemical Society 139 (12), 4350-4353 (2017).

6. The Origin of Ultralow Thermal Conductivity in InTe: Lone‐Pair‐Induced Anharmonic Rattling, Manoj  K.  Jana, Koushik Pal, Umesh V, Waghmare, Kanishka Biswas, Angewandte Chemie International Edition 55 (27), 7792-7796 (2016).

5. Pressure-induced phase transition in Bi2Se3 at 3 GPa: electronic topological transition or not?, Achintya Bera, Koushik Pal, DVS Muthu, Umesh V, Waghmare, Ajay K. Sood, Journal of Physics: Condensed Matter 28 (10), 105401 (2015).

4. Thermoelectric properties of materials with nontrivial electronic topology, Koushik Pal, Shashwat Anand, Umesh V. Waghmare, Journal of Materials Chemistry C 3 (46), 12130-12139 (2015).​

3. Strain induced  topological insulating state of β-As2Te3, Koushik Pal, Umesh V. Waghmare, Applied Physics Letters 105 (6), 062105 (2014).

2. Pressure-induced structural changes and insulator-metal transition in layered bismuth triiodide, BiI3: a combined experimental and theoretical study, TR Devidas, NVC Shekar, CS Sundar, P Chithaiah, YA Sorb, VS Bhadram, Narayana Chandrabhas, Koushik Pal, Umesh V Waghmare, CNR Rao, Journal of Physics: Condensed Matter 26 (27), 275502 (2014).

1. Sharp Raman anomalies and broken adiabaticity at a pressure induced transition from band to topological insulator in Sb2Se3, Achintya Bera, Koushik Pal, DVS Muthu, Somaditya Sen, Prasenjit Guptasarma, Umesh V Waghmare, and Ajay K. Sood, Physical Review Letters 110 (10), 107401 (2013).