Browsing by Author "Sarikavak-Lisesivdin, B."

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    Ab initio study of Ru-terminated and Ru-doped armchair graphene nanoribbons
    (Taylor and Francis, 2012) Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Özbay, Ekmel
    We investigate the effects of ruthenium (Ru) termination and Ru doping on the electronic properties of armchair graphene nanoribbons (AGNRs) using first-principles methods. The electronic band structures, geometries, density of states, binding energies, band gap information, and formation energies of related structures are calculated. It is well founded that the electronic properties of the investigated AGNRs are highly influenced by Ru termination and Ru doping. With Ru termination, metallic band structures with quasi-zero-dimensional, one-dimensional and quasi-one-dimensional density of states (DOS) behavior are obtained in addition to dominant one-dimensional behavior. In contrast to Ru termination, Ru doping introduces small but measurable (12.4 to 89.6meV) direct or indirect band gaps. These results may present an additional way to produce tunable band gaps in AGNRs.
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    The effect of InxGa1−xN back-barriers on the dislocation densities in Al0.31Ga0.69N/AlN/GaN/InxGa1−xN/GaN heterostructures (0.05 ≤ x ≤ 0.14)
    (Elsevier, 2013-01) Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Özbay, Ekmel
    Al0.31Ga0.69N/AlN/GaN/InxGa1-xN/GaN heterostructures grown with the metal-organic chemical vapor deposition (MOCVD) technique with different InxGa1-xN back-barriers with In mole fractions of 0.05 <= x <= 0.14 were investigated by using XRD measurements. Screw, edge, and total dislocations, In mole fraction of back-barriers, Al mole fraction, and the thicknesses of front-barriers and lattice parameters were calculated. Mixed state dislocations with both edge and screw type dislocations were observed. The effects of the In mole fraction difference in the back-barrier and the effect of the thickness of front-barrier on crystal quality are discussed. With the increasing In mole fraction, an increasing dislocation trend is observed that may be due to the growth temperature difference between ultrathin InxGa1-xN back-barrier and the surrounding layers.
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    Effect of substitutional as impurity on electrical and optical properties of β-Si3N4 structure
    (Elsevier Ltd, 2016) Kutlu, E.; Narin, P.; Atmaca, G.; Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Özbay, Ekmel
    β-Si3N4 is used as the gate dielectric for surface passivation in GaN-based, high-electron mobility transistors(HEMTs). In this study, the electrical and optical characteristics of the hexagonal β-Si3N4 crystal structure were calculated using density functional theory (DFT) and local-density approximation (LDA). Calculations of the electronic band structure and the density of states (DOS) were made for the pure β-Si3N4 crystal structure and the β-Si3N4 crystal doped with an arsenic (As) impurity atom. In addition, the optical properties such as the static dielectric constant, refractive index, extinction coefficient, absorption coefficient and reflection coefficient were examined depending on the photon energy. As a result of these calculations, it was observed that the As impurity atom drastically changed the electrical and optical properties of the pure β-Si3N4 crystalline structure, and improvements are suggested for potential further studies.
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    Electronic properties of Li-doped zigzag graphene nanoribbons
    (Elsevier B.V., 2016) Narin, P.; Kutlu, E.; Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Özbay, Ekmel
    Zigzag graphene nanoribbons (ZGNRs) are known to exhibit metallic behavior. Depending on structural properties such as edge status, doping and width of nanoribbons, the electronic properties of these structures may vary. In this study, changes in electronic properties of crystal by doping Lithium (Li) atom to ZGNR structure are analyzed. In spin polarized calculations are made using Density Functional Theory (DFT) with generalized gradient approximation (GGA) as exchange correlation. As a result of calculations, it has been determined that Li atom affects electronic properties of ZGNR structure significantly. It is observed that ZGNR structure exhibiting metallic behavior in pure state shows half-metal and semiconductor behavior with Li atom.
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    Energy relaxation of electrons in InGaN quantum wells
    (Springer New York LLC, 2015-04) Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Balkan, N.; Atmaca, G.; Narin, P.; Cakmak, H.; Özbay, Ekmel
    In this study, electron energy relaxation mechanisms in HEMT structures with different InxGa1−xN-channel quantum well (QW) widths are investigated. Theoretical value of the inelastic scattering rates is carried out at electron temperatures between 30 K (−243 °C) < Te < 700 K (427 °C). We used both the experimentally determined and calculated electron temperatures to estimate the energy relaxation rates of non-equilibrium electrons. In wide InGaN QWs, power loss of an electron is shown to be significantly smaller than that in the narrower QWs. © 2015, The Minerals, Metals & Materials Society and ASM International.
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    First-principles calculations of Pd-terminated symmetrical armchair graphene nanoribbons
    (Elsevier, 2013) Kuloglu, A. F.; Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Özbay, Ekmel
    The effects of Palladium (Pd) termination on the electronic properties of armchair graphene nanoribbons (AGNRs) were calculated by using ab initio calculations. After a geometric optimization process, the electronic band structures, density of states, and binding energies of AGNRs with Na = 5-15 were calculated. Pd-termination was found to significantly influence the electronic properties of AGNRs. In DOS, many Q0D and Q1D type states were observed. Binding energy (BE) for single-side or both-side Pd-terminated structures represents characteristic drops with the increasing GNR width. With the increasing GNR width, the BEs of these structures become similar to hydrogenated structures. Because of the GNR width, dependent BE also gave information on the possible stiffness information, in which all of this information can be used in studies where controlled binding to graphene is required.
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    A structural analysis of ultrathin barrier (In)AlN/GaN heterostructures for GaN-based high-frequency power electronics
    (Wiley, 2022-04-08) Narin, P.; Kutlu-Narin, E.; Atmaca, G.; Sarikavak-Lisesivdin, B.; Lisesivdin, S. B.; Özbay, Ekmel
    Metal–organic chemical vapor deposition (MOCVD) is one of the best growth methods for GaN-based materials as well-known. GaN-based materials with very quality are grown the MOCVD, so we used this growth technique to grow InAlN/ GaN and AlN/GaN heterostructures in this study. The structural and surface properties of ultrathin barrier AlN/GaN and InAlN/GaN heterostructures are studied by X-ray diffraction (XRD) and atomic force microscopy (AFM) measurements. Screw, edge, and total dislocation densities for the grown samples have been calculated by using XRD results. The lowest dislocation density is found to be 1.69 108 cm2 for Sample B with a lattice-matched In0.17Al0.83N barrier. The crystal quality of the studied samples is determined using (002) symmetric and (102) asymmetric diffractions of the GaN material. In terms of the surface roughness, although reference sample has a lower value as 0.27 nm of root mean square values (RMS), Sample A with 4-nm AlN barrier layer exhibits the highest rough surface as 1.52 nm of RMS. The structural quality of the studied samples is significantly affected by the barrier layer thickness. The obtained structural properties of the samples are very important for potential applications like high-electron mobility transistors (HEMTs).