Santu Baidya

A real-space study of random extended defects in solids : Application to disordered Stone–Wales defects in graphene

Abstract We propose here a first-principles, parameter free, real space method for the study of disordered extended defects in solids. We shall illustrate the power of the technique with an application to graphene sheets with randomly placed Stone–Wales defects and shall examine the signature of such random defects on the density of states as a function of their concentration. The technique is general enough to be applied to a whole class of systems with lattice translational symmetry broken not only locally but by extended defects and defect clusters. The real space approach will allow us to distinguish signatures of specific defects and defect clusters.

Design of Chern and Mott insulators in buckled 3d oxide honeycomb lattices

Perovskite bilayers with (111)-orientation combine a honeycomb lattice as a key feature with the strongly correlated, multiorbital nature of electrons in transition metal oxides. In a systematic DFT+

Configuration and self-averaging in disordered systems

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Copper rubidium diphosphate, Rb2Cu3(P2O7)2: synthesis, crystal structure, thermodynamic and resonant properties

study of (111)-oriented (La

Controlled confinement of half-metallic two-dimensional electron gas in BaTiO3/Ba2FeReO6/BaTiO3 heterostructures: A first-principles study

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Electronic structure and phonons in La 2 CoMnO 6 : a ferromagnetic insulator driven by Coulomb-assisted spin-orbit coupling

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Breakdown of J = 0 nonmagnetic state in d 4 iridate double perovskites: A first-principles study

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Crystal structure and magnetic properties of a new layered sodium nickel hydroxide phosphate, Na2Ni3(OH)2(PO4)2

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Effect of A cation on magnetic properties of double perovskite compounds: From ferromagnetic Ca2CrSbO6 to antiferromagnetic Sr2CrSbO6

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Understanding neutron scattering data in YMn 2 O 5 : an effective spin Hamiltonian

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