Marathe Madhura
professor
Materials Simulation and Theory
ICMAB: Insitut De CIENCIA DE MATERIALS DE BARCELONA SPAIN
Spain
Biography
He is a professor ICMAB Institut De Ciencia Materials Barcelona
Research Interest
Application of Density Functional Theory to study structural, magnetic and electronic properties of metallic surface alloys and interfaces as well as properties of ferroelectric materials. Use of Molecular Dynamics simulations for a coarse-grain Effective Hamiltonian to calculate finite temperature properties, e.g., calculation of temperature-strain phase diagram for epitaxially strained BaTiO3.
Publications
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"Ordered Surface Alloy of bulk-immiscible components stabilized by magnetism", S. Mehendale, Y. Girard, V. Repain, C. Chacon, J. Lagoute, S. Rousset, MM and S. Narasimhan, Phys. Rev. Lett. 105, 056101 (2010) (Selected as Editor's Suggestion).
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"Electrocaloric effect in BaTiO3: A first-principles-based study on the effect of misfit strain", MM and C. Ederer, Appl. Phys. Lett. 104, 212902 (2014).
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"First-principles-based calculation of the electrocaloric effect in BaTiO3: A comparison of direct and indirect methods", MM, A. Grünebohm, T. Nishimatsu, P. Entel and C. Ederer, Phys. Rev. B 93, 054110 (2016).
