Senior Lecturer/Associate Professor at Department of Physics and Astronomy, Materials Theory
Graphene & 2D materials, multiferroics, random alloys, organometallics, clusters, time-dependent electron dynamics, spin-phonon coupling
DFT-I 1FA584 (also course responsible)
Hands-on electronic structure calculations 1FA583 (also course responsible)
Computational Physics 1FA573 (also course responsible)
Chemical binding and structure formation 1FA580 (also course responsible)
Keywords: ab initio electronic structure calculations time-dependent phenomena structure prediction and properties of novel 2d materials
Also available at
- Structure prediction and properties of novel 2D materials
- Defect engineering in 2D materials
- Heterostructures of 2D materials
- Molecule-substrate interactions: spin dipole moment, magnetic anisotropy, exchange interactions, van der Waals interactions
- Properties of magnetic clusters
- Electron correlation in nanostructures and bulk
- Oxide heterostructures and their interfaces
- Polarization and magnetization dynamics of correlated oxides
- EU-FP7 IAPP project
New Materials for High Moment Poles and Shields
NU-MATHIMO (FP7 Marie Curie project)
Partners: University of Duisburg-Essen, Germany and Seagate Technology, Ireland
- X. Chen, D. Wang, X. Liu, L. Li and B. Sanyal, Two-dimensional square-A2B (A = Cu, Ag, Au, and B = S, Se): Auxetic semiconductors with high carrier mobilities and unusually low lattice thermal conductivities, J. Phys. Chem. Lett. 11, 2925 (2020).
- R. Esteban-Puyuelo, R. K. Sonkar, B. Pujari, O. Grånäs and B. Sanyal, Tailoring the opto-electronic response of graphene nanoflakes by size and shape optimization, Phys. Chem. Chem. Phys. 22, 8212 (2020).
- S. Haldar, S. Bhandary, H. Vovusha, and B. Sanyal, Comparative study of electronic and magnetic properties of iron and cobalt phthalocyanine molecules physisorbed on two-dimensional MoS2 and graphene, Phys. Rev. B 98, 085440 (2018)
- C. Autieri, A. Bouhen and B. Sanyal, Gap opening and large spin–orbit splitting in (M = Mo,W; X = S,Se,Te) from the interplay between crystal field and hybridisations: insights from ab-initio theory, Phil. Mag. 97, 3381 (2017)
- S. Bhandary, O. Eriksson and B. Sanyal, Defect controlled magnetism in FeP/graphene/Ni(111), Sci. Rep. 3, 3405 (2013).
- H. Vovusha, S. Sanyal and B. Sanyal, Interaction of Nucleobases and Aromatic Amino Acids with Graphene Oxide and Graphene Flakes J. Phys. Chem. Lett. 4, 3710 (2013).
- S. Haldar, P. Srivastava, O. Eriksson, P. Sen and B. Sanyal, Designing Fe Nanostructures at Graphene/h-BN Interfaces J. Phys. Chem. C 117, 21763 (2013).
- S. Bhandary, S. Ghosh, H. Herper, H. Wende, O. Eriksson and B. Sanyal, Graphene as a Reversible Spin Manipulator of Molecular Magnets Phys. Rev. Lett. 107, 257202 (2011).
- Sanyal et al., Forcing Ferromagnetic Coupling Between Rare-Earth-Metal and 3d Ferromagnetic Films Phys. Rev. Lett. 104, 156402 (2010).
- Sato et al., First-principles theory of dilute magnetic semiconductors Rev. Mod. Phys. 82, 1633 (2010).
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