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Recent Submissions
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Pressure and spin effect on the stability, electronic and mechanic properties of three equiatomic quaternary Heusler (FeVHfZ, Z = Al, Si, and Ge) compounds
(Elsevier Ltd, 2021)In this paper, three equiatomic quaternary Heusler compounds − FeVHfZ (Z = Al, Si, and Ge) − are investigated for their structural, magnetic, electronic, mechanic, and lattice dynamic properties under pressure effect. These ... -
Experimental and theoretical investigation of the mechanical characteristics of sillenite compound: Bi12GeO20
(Elsevier Ltd, 2021)The present study reports the mechanical and elastic characteristics of Bi12GeO20 (BGO) compound by experimental nanoindentation measurements and density functional theory (DFT) calculations. X-ray diffraction pattern of ... -
Equiatomic quaternary Heusler compounds TiVFeZ (Z=Al, Si, Ge): Half-metallic ferromagnetic materials
(Elsevier Ltd, 2021)Equiatomic quaternary Heusler compounds (EQHCs) are very promising materials for spintronic applications due to their excellent electronic and magnetic properties. In this study, structural, electronic, magnetic, mechanic, ... -
Highway accident number estimation in Turkey with Jaya algorithm
(Springer Science and Business Media Deutschland GmbH, 2022)In the transportation sector in Turkey, approximately 90% of cargo and passenger transportation is carried out on highways. In recent years, increasing population and welfare levels have brought along an increase in demand ... -
Electronic and thermodynamic properties of lanthanum tetraboride on low-temperature experimental and ab-initio calculation data
(Elsevier Ltd, 2021)The characteristics of the electronic and phonon subsystems of lanthanum tetraboride (LaB4) studied using first-principles calculations. The calculated lattice parameters, as well as the positions of atomic, are satisfactorily ... -
Topological nodal line phonons: Recent advances in materials realization
(AIP Publishing, 2022)The topological phenomenon has been extensively studied in condensed matter physics and has attracted much attention in many different fields. Like electrons, phonons can also be studied using critical theorems and topology ... -
An investigation into the structural, electronic, and non-linear optical properties in C-N (N=20, 24, 26, 28, 30, 32, 34, 36, and 38) fullerene cages
(Springer, 2022)The present study attempts to investigate the structural, electronic, and non-linear optical properties of C-N (N = 20, 24, 26, 28, 30, 32, 34, 36, and 38) fullerene cages based on Density Functional Theory (DFT). In the ... -
The investigation of electronic, anisotropic elastic and lattice dynamical properties of MAB phase nanolaminated ternary borides: M2AlB2 (M ¼ Mn, Fe and Co) under spin effects
(Elsevier Ltd, 2020)In the present study, the structural, electronic, magnetic, anisotropic elastic and lattice dynamic properties of the ternary metal borides M2AlB2 (M=Mn, Fe and Co) known as MAB phases have been investigated by density ... -
Anisotropic mechanical properties of Tl4Ag18Te11 compound with low thermal conductivity
(Academic Press Inc., 2020)The anisotropic mechanical properties of Tl4Ag18Te11 compound was investigated elaborately for the first time by using Density Functional Theory calculations with the Vienna Ab-initio Simulation Package in this work. ... -
Effect of Hydrogen Doping to MgTiH3 Perovskite Type Hydride to Enhance Hydrogen Storage Properties
(Institute of Electrical and Electronics Engineers Inc., 2019)MgTiH3 perovskite type hydride has been investigated for the hydrogen doping effect using the first principles calculation with the Vienna Ab-initio Simulation Package. The hydrogen doping positions have been determined ... -
An ab initio Study of Cr and Mn Doped MAX Phase TiMSiB
(Institute of Electrical and Electronics Engineers Inc., 2019)MAX phases, which are widely studied experimentally and theoretically, have general formula of M(n1)AXn, where M is transition metals, A is A group element and X is C and N. In this study, the structural, mechanical and ... -
Rich topological nodal line bulk states together with drum-head-like surface states in NaAlGe with anti-PbFCl type structure
(Elsevier B.V., 2020)The band topology in condensed matter has attracted widespread attention in recent years. Due to the band inversion, topological nodal line semimetals (TNLSs) have band crossing points (BCPs) around the Fermi level, forming ... -
Rich topological nodal line bulk states together with drum-head-like surface states in NaAlGe with anti-PbFCl type structure
(Elsevier B.V., 2020)The band topology in condensed matter has attracted widespread attention in recent years. Due to the band inversion, topological nodal line semimetals (TNLSs) have band crossing points (BCPs) around the Fermi level, forming ... -
Pnma metal hydride system LiBH: A superior topological semimetal with the coexistence of twofold and quadruple degenerate topological nodal lines
(Institute of Physics Publishing, 2020)To date, a handful of topological semimetals (TMs) with multiple types of topological nodal line (TNL) states have been theoretically predicted in novel materials. However, their TNLs are often affected by many factors, ... -
The spin effects on electronic, optical and mechanical properties of new ferromagnetic chalcopyrite: YMnS2
(Elsevier Ltd, 2022)In this study, magnetic and electronic nature, optical behavior, and elasticity properties of YMnS2 compound have been investigated by using density functional theory (DFT). The compound belongs to the chalcopyrite family ... -
Energy, exergy and economic (3E) evaluation of the photovoltaic/thermal collector-assisted heat pump domestic water heating system for different climatic regions in Turkey
(SPRINGER, MAR 2021)In this study, the energy, exergy and economic (3E) analyses were performed for the photovoltaic/thermal collector-assisted heat pump domestic water heating system under two different climatic regions (Hakkari and Trabzon) ... -
First principles study on new half-metallic ferromagnetic ternary zinc-based sulfide and telluride (Zn3VS4 and Zn3VTe4)
(Institute of Physics Publishing, 2019)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 ... -
Properties of BaYO3 perovskite and hydrogen storage properties of BaYO3Hx
(Elsevier Ltd, 2019)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 ... -
The effect of periodic magnetic force on a piezoelectric energy harvester
(ELSEVIER SCIENCE SA, 2013)The response of a piezoelectric (PZT) harvester in pendulum shape is explored under a periodic magnetic field both theoretically and experimentally. The magnetic force F-m is found via fitting to a polynomial function ... -
First-principle investigation for the hydrogen storage properties of NaXH3 (X= Mn, Fe, Co) perovskite type hydrides
(Elsevier Ltd, 2019)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 ...
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