Materials Science and Engineering / Malzeme Bilimi ve Mühendisliği

Permanent URI for this collectionhttps://hdl.handle.net/11147/4719

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Subject: search.filters.subject.PhononsWoS Q: search.filters.wosQuartile.Q2

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  • Article
    Citation - WoS: 13
    Citation - Scopus: 12
    Orthorhombic Cspbi3 Perovskites: Thickness-Dependent Structural, Optical and Vibrational Properties
    (Elsevier, 2020) Özen, Sercan; İyikanat, Fadıl; Özcan, Mehmet; Tekneci, Gülsüm Efsun; Eren, İsmail; Sözen, Yiğit; Şahin, Hasan
    Cesium lead halide perovskites have been subject to intense investigation, mostly because of their potential to be used in optoelectronic device applications. However, regarding the need for nanoscale materials in forthcoming nanotechnology applications, understanding of how the characteristic properties of these perovskite crystals are modified through dimensional crossover is essential. In this study, thickness-dependence of the structural, electronic and vibrational properties of orthorhombic CsPbI3, which is one of the most stable phase at room temperature, is investigated by means of state-of-the-art first-principles calculations. Our results show that (i) bilayers and monolayers of CsPbI3 can be stabilized in orthorhombic crystal symmetry, (ii) among; the possible ultra-thin perovskites only structures with CsI-terminated surface are dynamically stable (iii) electronic band gap increases with decrease in perovskite thickness due to quantum size effect and (iv) reflectivity and transmissivity of the orthorhombic CsPbI3 can be tuned by varying the thickness that modifies the electron confinement. (c) 2019 Elsevier B.V. All rights reserved.
  • Article
    Citation - WoS: 10
    Citation - Scopus: 11
    Phonon scattering in graphene over substrate steps
    (American Institute of Physics, 2014) Sevinçli, Haldun; Brandbyge, Mads
    We calculate the effect on phonon transport of substrate-induced bends in graphene. We consider bending induced by an abrupt kink in the substrate, and provide results for different step-heights and substrate interaction strengths. We find that individual substrate steps reduce thermal conductance in the range between 5% and 47%. We also consider the transmission across linear kinks formed by adsorption of atomic hydrogen at the bends and find that individual kinks suppress thermal conduction substantially, especially at high temperatures. Our analysis show that substrate irregularities can be detrimental for thermal conduction even for small step heights.