Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection

Permanent URI for this collectionhttps://hdl.handle.net/11147/7148

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Author: search.filters.author.Torun, EnginSubject: search.filters.subject.Density functional theory

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  • Article
    Citation - WoS: 19
    Citation - Scopus: 21
    Fundamental Mechanisms Responsible for the Temperature Coefficient of Resonant Frequency in Microwave Dielectric Ceramics
    (John Wiley and Sons Inc., 2017) Zhang, Shengke; Şahin, Hasan; Torun, Engin; Peeters, François M.; Martien, Dinesh; DaPron, Tyler; Dilley, Neil; Newman, Nathan
    The temperature coefficient of resonant frequency (τf) of a microwave resonator is determined by three materials parameters according to the following equation: τf=−(½ τε + ½ τμ + αL), where αL, τε, and τμ are defined as the linear temperature coefficients of the lattice constant, dielectric constant, and magnetic permeability, respectively. We have experimentally determined each of these parameters for Ba(Zn1/3Ta2/3)O3, 0.8 at.% Ni-doped Ba(Zn1/3Ta2/3)O3, and Ba(Ni1/3Ta2/3)O3 ceramics. These results, in combination with density functional theory calculations, have allowed us to develop a much improved understanding of the fundamental physical mechanisms responsible for the temperature coefficient of resonant frequency, τf.
  • Article
    Citation - WoS: 15
    Citation - Scopus: 18
    Computing Optical Properties of Ultra-Thin Crystals
    (John Wiley and Sons Inc., 2016) Şahin, Hasan; Torun, Engin; Bacaksız, Cihan; Horzum, Şeyda; Kang, J.; Senger, Ramazan Tuğrul; Peeters, François M.
    An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2 , MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene, and graphane). Ultra-thin crystals are atomically thick-layered crystals that have unique properties which differ from their 3D counterpart. Because of the difficulties in the synthesis of few-atom-thick crystal structures, which are thought to be the main building blocks of future nanotechnology, reliable theoretical predictions of their electronic, vibrational, and optical properties are of great importance. Recent studies revealed the reliable predictive power of existing theoretical approaches based on density functional theory.