A5027315059- Boron and Carbon Nanomaterials Research
- Microstructure and Mechanical Properties of Steels
- MXene and MAX Phase Materials
- Magnetic Properties and Applications
- Chalcogenide Semiconductor Thin Films
- Heusler alloys: electronic and magnetic properties
- Shape Memory Alloy Transformations
- High-pressure geophysics and materials
- Semiconductor materials and interfaces
- Intermetallics and Advanced Alloy Properties
- 2D Materials and Applications
- Magnetic Properties of Alloys
- Microstructure and mechanical properties
- Metal and Thin Film Mechanics
- Diamond and Carbon-based Materials Research
- Titanium Alloys Microstructure and Properties
- Advanced Thermoelectric Materials and Devices
- Metallic Glasses and Amorphous Alloys
- Quantum Dots Synthesis And Properties
- Metallurgy and Material Forming
- Atomic and Molecular Physics
- High Entropy Alloys Studies
- Fullerene Chemistry and Applications
- Photocathodes and Microchannel Plates
- Machine Learning in Materials Science
Ankara Hacı Bayram Veli University
2019-2024
Gazi University
2020
Hitit Üniversitesi
2009-2019
Amasya Üniversitesi
2016
University of North Alabama
2007-2009
Kırıkkale University
2002-2006
Geometry optimization calculations were performed for some structural, elastic and mechanical properties of gallium arsenide (GaAs) under pressures up to 25 GPa. In contrast previous works, a recent Stillinger-Weber type potential was used the first time elaborate pressure dependence aspects GaAs. B3→B1 phase transition determined as 17 Pressure density, typical cubic constants, bulk, shear, Young moduli, Poisson ratio, velocities, anisotropy parameter, Kleinman degree, stability conditions...
Cadmium sulfide is one of the cutting-edge materials current optoelectronic technology. Although many theoretical works are presented for pressure-dependent elastic and related properties zinc blende crystal structure cadmium sulfide, there still some scarcity elastic, mechanical, phonon behavior wurtzitic phase this important material under pressure. In contrast to former methods used in literature, we report first time application a recent shell model-based interatomic potential via...
Abstract We report the electronic, elastic, mechanical, optical, and magnetic properties of Rh 2 MnX (X = Ti, Hf, Sc, Zr, Zn) Heusler alloys performed within density functional theory. The generalized gradient approximation was used for calculations in context Perdew–Burke–Ernzerhof exchange‐correlation energy treatment. computed elastic constants moduli show that all investigated are mechanically stable ductile. It has been found magnitudes theoretical Vickers hardness values these range Ti...
Abstract Density functional theory (DFT) calculations were executed for the titled features of hitherto unreported Rb 2 XS 3 (X = Si, Ge, Sn) chalcogen compounds. All compounds found to be in semiconducting character where they demonstrate high-k dielectric properties, high optical conductivity, refractivity and reasonable absorbance. In addition, obtained phonon dispersion curves all with positive frequencies stipulate dynamical stability. Also, computed elastic stiffness constants prove...
We present embedded atom method-based geometry optimization calculations for Fe, Cr, Mo, Nb, Ta, V and W body-centered cubic metals with Finnis—Sinclair potentials. After the optimization, we determine their typical elastic constants, bulk modulus, shear Young's Poisson's ratios, wave velocities cohesive energies. Additionally, perform a benchmark between experiments available density functional theory results. In general, our results show good consistency previous findings on energy...
It is discovered theoretically that significant confinement resonances in an $nl$ photoionization of a multielectron atom $A$ encaged carbon fullerenes $A@{\text{C}}_{60}$ may reappear and be strong at photon energies far exceeding the ionization threshold, as general phenomenon. The reasons for this phenomenon are unraveled. $\text{Ne}\text{ }2p$ endohedral anion $\text{Ne}@\text{C}_{60}{}^{5\ensuremath{-}}$ energy region about thousand eV above $2p$ threshold chosen case study.
We report for the first time application of a mixed-type interatomic potential to determine high-pressure elastic, mechanical, and phonon properties wurtzite zinc sulfide (WZ-ZnS) with geometry optimization calculations under pressures up 12 GPa. Pressure dependency typical elastic constants, bulk, shear, Young moduli, both longitudinal shear wave velocities, stability, as well dispersions corresponding density states WZ-ZnS were surveyed. Our results ground state mechanical quantities are...
We report some unclarified physical properties of Ce3XY (X = Al, In and Y C, N) inverse cubic perovskites by conducting a density functional theory (DFT) study. The elastic, mechanical, magnetic, thermodynamic optical these compounds were addressed. Obtained elastic data prove the mechanical stability, anisotropy brittle character for all investigated compounds. Vickers hardness values follow Ce3InC > Ce3AlN Ce3InN Ce3AlC sequence. All show ionic bonding except in which covalent is dominant....