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Article Citation - WoS: 45Citation - Scopus: 43Investigation of Structural, Electronic, Magnetic and Lattice Dynamical Properties for Xcobi (x: Ti, Zr, Hf) Half-Heusler Compounds(Elsevier, 2020) Surucu, Gokhan; Isik, Mehmet; Candan, Abdullah; Wang, Xiaotian; Gullu, Hasan HuseyinStructural, electronic, magnetic, mechanical and lattice dynamical properties of XCoBi (X: Ti, Zr, Hf) Half-Heusler compounds have been investigated according to density functional theory and generalized gradient approximation. Among alpha, beta and gamma structural phases, gamma-phase structure has been found as the most stability characteristics depending on the calculated formation enthalpies, energy-volume dependencies and Cauchy pressures. Energy-volume plots of possible magnetic orders of gamma-phase XCoBi compounds have been analyzed and the most stable order has been found as paramagnetic nature. The theoretical studies on gamma-phase structures resulted in band gap energies of 0.96, 0.99 and 0.98 eV for TiCoBi, ZrCoBi and HfCoBi semiconducting compounds, respectively. Born-Huang criteria applied on elastic constants of interest compounds has indicated that gamma-phase is also mechanically stable for all studied compounds. In addition, various mechanical, lattice dynamical and thermodynamical parameters of XCoBi compounds have been calculated in the present study.Article Citation - WoS: 3Citation - Scopus: 3Optical and Nanomechanical Properties of Ga2se3< Crystals and Thin Films(Springer, 2021) Isik, Mehmet; Emir, Cansu; Gullu, Hasan Huseyin; Gasanly, NizamiThe optical and nanomechanical properties of Ga(2)Se(3)single crystals and thin films were investigated using reflection, transmission, and nanoindentation measurements. The reflection spectrum recorded in the 525- to 1100-nm range was analyzed to get the band gap energy of the crystal structure, and derivative analysis of the spectrum resulted in band gap energy of 1.92 eV which was attributed to indirect transition. The band gap energy of thermally evaporated Ga(2)Se(3)thin film was determined from the analysis of the transmittance spectrum. The absorption coefficient analysis presented the direct band gap energy as 2.60 eV. The refractive index was investigated in the transparent region using the Wemple-DiDomenico single-oscillator model. Nanoindentation measurements were carried out on the crystal and thin film structures of Ga2Se3. Nanohardness and elastic modulus of the Ga(2)Se(3)single crystals and thin films were calculated following the Oliver-Pharr analysis method.
