Simsek, SevketKoc, HusnuMamedov, Amirullah M.Ozbay, Ekmel2024-12-242024-12-2420190015-01931563-5112https://doi.org/10.1080/00150193.2019.1569996https://hdl.handle.net/20.500.12604/5833Joint International 14th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity (RCBJSF) -- MAY 14-18, 2018 -- St Petersburg, RUSSIAIn the present study, the structural, electronic, optical, and mechanical properties of the Ruddlesden-Popper type oxide compounds are investigated by means of density functional theory. In our calculation, spin polarized electron band structures and density of the state were identified by adding to the spin contribution of the Mn-atom. For A(3)Mn(2)O(7) compounds, the real and imaginary parts of the dielectric function and other optical properties, such as energy loss function, effective number of valence electrons, and effective optical dielectric constant, were calculated accordingly. In addition, the bulk modules, shear modules, Young's modulus and Poisson ratios, anisotropy factors, sound velocities, and Debye temperatures for these compounds were calculated too.eninfo:eu-repo/semantics/closedAccessRuddlesden-popperelectronic structureelastic constantsfirst principles calculationConference Object5381135144Q4WOS:000471800900020Q42-s2.0-8506588802510.1080/00150193.2019.1569996