Lattice Vibrations, MIR and FIR Optical Properties of Boron and Icosahedral Boron-Rich Borides I. Alpha-Rhombohedral Structure Group
نویسنده
چکیده
General remarks on the structure and the lattice vibrations o f the different structure groups o f boron and icosahedral boron-rich borides are made. In detail, the lattice vibrations o f the alpha-rhombohedral boron structure group are systematically investigated by group theory. Reflectivity spectra o f boroncarbide o f different chemical com position and preparation and o f B60 were measured in the MIR and FIR spectral range. These phonon spectra are analyzed in connection with previous experimental and theoretical results obtained by other authors. A proposal for the intercorrelation o f the phonon spectra o f this structure group is derived. The plasma resonance spectra o f boron carbide and B60 yield qualitative information on the dependence o f electronic transport on material properties.
منابع مشابه
Lattice Vibrations, MIR and FIR Optical Properties of Boron and Icosahedral Boron-Rich Borides
für Naturforschung in cooperation with the Max Planck Society for the Advancement of Science under a Creative Commons Attribution 4.0 International License. Dieses Werk wurde im Jahr 2013 vom Verlag Zeitschrift für Naturforschung in Zusammenarbeit mit der Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. digitalisiert und unter folgender Lizenz veröffentlicht: Creative Commons Namen...
متن کاملDisordered Icosahedral Boron-Rich Solids − A Theoretical Study of Thermodynamic Stability and Properties
This thesis is a theoretical study of configurational disorder in icosahedral boronrich solids, in particular boron carbide, including also the development of a methodological framework for treating configurational disorder in such materials, namely superatom-special quasirandom structure (SA-SQS). In terms of its practical implementations, the SA-SQS method is demonstrated to be capable of eff...
متن کاملFirst-principles study of configurational disorder in icosahedral boron-rich solids
This thesis is a theoretical study of configurationally disordered icosahedral boronrich solids, in particular boron carbides, using density functional theory and alloy theory. The goal is to resolve discrepancies, regarding the properties of boron carbides, between experiments and previous theoretical calculations which have been a controversial issue in the field of icosahedral boron-rich sol...
متن کاملElectronic and Optical Properties of the Graphene and Boron Nitride Nanoribbons in Presence of the Electric Field
Abstract: In this study, using density functional theory and the SIESTA computationalcode, we investigate the electronic and optical properties of the armchair graphenenanoribbons and the armchair boron nitride nanoribbons of width 25 in the presence of atransverse external electric field. We have observed that in the absence of the electricfield, these structures are se...
متن کاملAb–initio study of the electronic and optical traits of Na0.5Bi0.5TiO3 nanostructured thin film
The electronic, and optical properties of rhombohedral Na0.5Bi0.5TiO3nanostructured thin film have been studied by the first–principle approach. Densityfunctional theory (DFT) has been employed to calculate the fundamental properties ofthe layers using full–potential linearized augmented plane–wave (FPLAPW) method. A2×2×1 supercell was constructed with two vacuum slabs o...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2013