Yazar "Surucu G." için listeleme
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Electronic, mechanical and lattice dynamical properties of YXB4 (X = Cr, Mn, Fe, and Co) compounds
In this study, the physical such as structural, electronic, anisotropic elastic and lattice dynamic properties of YXB4 (X = Cr, Mn, Fe and Co) compounds have been investigated. The electronic properties including band ... -
First principles study on new half-metallic ferromagnetic ternary zinc-based sulfide and telluride (Zn3VS4 and Zn3VTe4)
In this resear, we have investigated electronic and magnetic behavior and also some mechanical properties of ternary zinc-based chalcogenides Zn3VCh4 (Ch =S and Te) conform to space group with 215 space number, which have ... -
First-principle investigation for the hydrogen storage properties of NaXH3 (X= Mn, Fe, Co) perovskite type hydrides
In the present study, NaXH3 (X = Mn, Fe, Co) perovskite type hydrides have been investigated by performing first-principles calculation. The results of the structural optimizations show that all these compounds have negative ... -
Properties of BaYO3 perovskite and hydrogen storage properties of BaYO3Hx
In this study, Density Functional Theory (DFT) calculations have been performed for BaYO3 perovskite with the generalized gradient approximation (GGA) as implemented in Vienna Ab-initio Simulation Package (VASP). The ...
