A5021609664- 2D Materials and Applications
- MXene and MAX Phase Materials
- Graphene research and applications
- Heusler alloys: electronic and magnetic properties
- Boron and Carbon Nanomaterials Research
- Topological Materials and Phenomena
- Magnetic and transport properties of perovskites and related materials
- High-pressure geophysics and materials
- Protein Structure and Dynamics
- Chalcogenide Semiconductor Thin Films
- Supramolecular Self-Assembly in Materials
- Advancements in Battery Materials
- Spectroscopy and Quantum Chemical Studies
- Advanced Chemical Physics Studies
- Analytical Chemistry and Chromatography
- Inorganic Chemistry and Materials
- Catalytic Processes in Materials Science
- Shape Memory Alloy Transformations
- Thermal Expansion and Ionic Conductivity
- Crystal Structures and Properties
- GaN-based semiconductor devices and materials
- Superconductivity in MgB2 and Alloys
- Rare-earth and actinide compounds
- Advanced Condensed Matter Physics
- Multiferroics and related materials
Karabük University
2012-2021
Faculty (United Kingdom)
2020
Engineering (Italy)
2020
Bilkent University
2008-2009
Hacettepe University
2005-2007
Leipzig University
2006
On the basis of first-principles plane-wave calculations, we examine adsorption and diffusion lithium on hexagonal MoS2(1–x)Se2x monolayers with variation x for 0.00, 0.33, 0.50, 0.66, 1.00. We find that lowest energy positions Li adatom is at top site Mo atom in both MoS2 MoSe2 monolayers, while moves through Mo—S bond MoS2(1–x)Se2x. While bare compounds are nonmagnetic semiconductor its band gap varies x, they can be metallized by adsorption. NEB calculation results show their barriers...
The realization of 2D ultrathin crystals with a ferromagnetic ground state that is sustainable at room temperature has been real challenge now. By combining ab initio density functional theory Monte Carlo simulations, we predicted new structure, Gd2B2 monolayer, which maintains its mechanical stability elevated temperatures. More remarkably, it high permanent magnetic moment, persists far above temperature. It exhibits magnetocrystalline anisotropy along particular directions. We find also...
Recent studies show that several metal oxides and dichalcogenides $(M{X}_{2})$, which exist in nature, can be stable two-dimensional (2D) form each year new $M{X}_{2}$ structures are explored. The unstable $H$ (hexagonal) or $T$ (octahedral) forms stabilized through Peierls distortion. In this paper, we propose 2D of ${\mathrm{RuS}}_{2}$ ${\mathrm{RuSe}}_{2}$ materials. We investigate detail the stability, electronic, magnetic, optical, thermodynamic properties $\mathrm{Ru}{X}_{2}$...
In this paper, we investigate two- and one-dimensional honeycomb structures of boron antimony (BSb) using a first-principles plane wave method within the density functional theory. BSb with two-dimensional structure is semiconductor 0.336 eV band gap. The vacancy defects, such as B, Sb, B + Sb divacancy, antisite disorder affect electronic magnetic properties 2D sheet. All vacancies have nonmagnetic metallic characters, while system has semiconducting structure. We also examine bare...
Among the class of ABO3-type perovskite oxides, LaMO3 (M=Ga and In) compounds are investigated in cubic (Pm-3m), tetragonal (P4mm), hexagonal (P-3m1), rhombohedral (R-3c) orthorhombic (Pbnm) phases using generalised gradient approximation (GGA) within density functional theory. On-site Coulomb interaction is also included calculations (GGA + U). After determination stable phase, phase transition pressures have been calculated. Then, their full structural, mechanical, electronic, optical...