Computational Material Science

 

             

1.        “First principles theory of Dirac semimetal Cd3As2 under Zeeman magnetic field”, Phys. Rev. B volume=102, page=165115 (2020), Impact factor=3.575, Santu Baidya and David Vanderbilt.

2.        "Interplay of Magnetism and Topological Superconductivity in Bilayer Kagome Metals", Phys. Rev. Lett. volume=125, page=026401 (2020), Impact factor=9.227, Santu Baidya, Aabhaas Vineet Mallik, Subhro Bhattacharjee, and Tanusri Saha-Dasgupta.

3.        "Theoretical evidence of spin-orbital-entangled Jeff = ½ state in the 3d transition metal oxide CuAl2O4", Phys. Rev. B (Rapid Communication) volume=100, page=161104 (2019), Impact factor=3.736, Choong H. Kim, Santu Baidya, Hwanbeom Cho, Vladimir V. Gapontsev, Sergey V. Streltsov, Daniel I. Khomskii, Je-Geun Park, Ara Go, and Hosub Jin.

4.        "Chern insulator with a nearly flat band in the metal-organic-framework-based Kagome lattice", Scientific Reports volume=9, page=13807 (2019), Impact factor=4.525, Santu Baidya, Seungjin Kang, Choong H. Kim and Jaejun Yu.

5.        "Tunable Magnetic Topological Insulating Phases in Monolayer CrI3", Phys. Rev. B volume=98, page=155148 (2018), Impact factor=3.736, Santu Baidya, Jaejun Yu and Choong H. Kim.

6.        "Confinement-driven electronic and topological phases in corundum-derived 3d oxide honeycomb lattices", Phys. Rev. B volume=97, page=035126 (2018), Impact factor=3.736, Okan Köksal, Santu Baidya and Rossitza Pentcheva.

7.        "High-temperature large-gap quantum anomalous Hall insulating state in ultrathin double perovskite films", Phys. Rev. B volume=94, page=155405 (2016), Impact factor=3.736, Santu Baidya, Umesh V. Waghmare, Arun Paramekanti and Tanusri Saha-Dasgupta.

8.        "Design of Mott and topological phases on buckled 3d-oxide honeycomb lattices", Phys. Rev. B volume=93, page=165145 (2016), Impact factor=3.736, D. Doennig, Santu Baidya, W. E. Pickett and R. Pentcheva.

9.        "Controlled confinement of half-metallic two-dimensional electron gas in BaTiO3/Ba2FeReO6/BaTiO3 heterostructures: A first-principles study", Phys. Rev. B (Rapid Communication) volume=92, page=161106 (2015), Impact factor=3.736, Santu Baidya, Umesh V. Waghmare, Arun Paramekanti, Tanusri Saha-Dasgupta.

10.        "Breakdown of J=0 nonmagnetic state in d4 iridate double perovskites: A first-principles study", Phys. Rev. B (Rapid Communication) volume=92, page=121113 (2015), Impact factor=3.736, Sayantika Bhowal, Santu Baidya, Indra Dasgupta, Tanusri Saha-Dasgupta.

11.      "Covalency driven low-temperature structural distortion and its effect on electronic structure of Hg2Ru2O7", Phys. Rev. B volume=91, page=075123 (2015), Impact factor=3.736, Santu Baidya, Tanusri Saha-Dasgupta.

12.      "Covalency-driven structural instability and spin-phonon coupling in barium cobalt oxychloride", Phys. Rev. B volume=90, page=235147 (2014), Impact factor=3.736, Tanushree Chakraborty, Santu Baidya, Carlo Meneghini, Tanusri Saha-Dasgupta, Giulia Veronesi, Marco Merlini, Hiroko Yokota, Mitsuru Itoh, S. Majumdar, and Sugata Ray.

13.      "A real-space study of random extended defects in solids: Application to disordered Stone-Wales defects in graphene", Physica E (Low-dimensional systems and nanostructures) volume=61, page=191-197 (2014), Impact factor=3.176, Suman Chowdhury, Santu Baidya, Dhani Nafday, Soumyajyoti Halder, Mukul Kabir, Biplab Sanyal, Tanusri Saha-Dasgupta, Debnarayan Jana, Abhijit Mookerjee.

14.      "Copper rubidium diphosphate, Rb2Cu3(P2O7)2:synthesis, crystal structure, thermodynamic and resonant properties", New. J. Chem., volume=37, page=2743-2750 (2013), Impact factor=3.069, Larisa Shvanskaya, Olga Yakubovich, Anna Ivanova, Santu Baidya, Tanusri Saha-Dasgupta, Elena Zvereva, Alexey Golovanov, Olga Volkova and Alexander Vasiliev.

15.      "Crystal structure and magnetic properties of new layered sodium nickel hydroxide phosphate, Na2Ni3(OH)2(PO4)2", Dalton Trans., volume=42, page=14718-14725 (2013), Impact factor=3.736, Olga Yakubovich, Galina Kiriukhina, Olga Dimitrova, Anatoli Volkov, Alexey Golovanov, Olga Volkova, Elena Zvereva, Santu Baidya, T. Saha-Dasgupta and Alexander Vasiliev.

16.      "Interplay of localized and itinerant character of Ru ions: Tl2Ru2O7 vs. Hg2Ru2O7", Phys. Rev. B volume=86, page=125117 (2012), Impact factor=3.736, Santu Baidya, Soumyajit Sarkar, T. Saha-Dasgupta and D. D. Sarma.

17.      "Effect of A cation on magnetic properties of double perovskite compounds: From ferromagnetic Ca2CrSbO6 to antiferromagnetic Sr2CrSbO6 ", Phys. Rev. B volume=86, page=024440 (2012), Impact factor=3.736, Santu Baidya, and T. Saha-Dasgupta.

18.      "Electronic Structure and phonons in La2CoMnO6: A ferromagnetic insulator driven by Coulomb-assisted spin-orbit coupling", Phys. Rev. B volume=84, page=035131 (2011), Impact factor=3.736, Santu Baidya, and T. Saha-Dasgupta.

19.      "Understanding neutron scattering data in YMn2O5: An effective spin Hamiltonian", Phys. Rev. B volume=84, page=054444 (2011), Impact factor=3.736, Santu Baidya, Prabuddha Sanyal, Hena Das, Bertrand Roessli, Tapan Chatterji, and T. Saha-Dasgupta.

Peer reviewed publications

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