Browsing Yayın Koleksiyonu by Author "Soykan, Cengiz"
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Comparison of the effects of Sr2+ and Ca2+ substitution on the structural and electronic properties of the perovskites CH3NH3Pb1-xYxI3 (Y[dbnd]Sr, Ca) by using the Density Functional Theory
Soykan, Cengiz; Göçmez, Hasan (Elsevier B.V., 2021)The Vienna ab-initio simulation package (VASP) and Density Functional Theory (DFT) calculation method are used to study the structural and detailed electronic properties through atomic substitution in the CH3NH3Pb(1-x)Y(x)I3 ... -
First-principles study for comparison of the electronic and optic bandgaps of the CH3NH3Pb1-xYxI3 (Y=Bi, x=0.00, 0.125) and CH3NH3Pb1-xYxI3 (Y=Ca, Sr, x=0.125, 0.250) perovskites
Soykan, Cengiz; Göçmez, Hasan (Elsevier B.V., 2021)We computed the optical bandgaps of the CH3NH3Pb(1-x)Y(x)I3 (Y=Bi, x = 0.00, 0.125) and CH3NH3Pb(1-x)Y(x)I3 (Y=Ca, Sr, x = 0.125, 0.250) perovskite crystal structures using optical arguments such as the imaginary part of ... -
A theoretical approach to the structural, elastic and electronic properties of Ti8− xV4− yMox+y+zAl4− z lightweight shape memory alloys for biomaterial implant applications
Soykan, Cengiz (Physica B: Physics of Condensed Matter, 01.01.2020)The physical properties of the off-stoichiometric Ti8−xV4−yMox+y+zAl4−z alloys to reduce toxic effects and increase biomaterial efficiency have been studied systematically with Density Functional Theory (DFT) based ab-initio ...
