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The band structure and electronic properties in a series of vinylene-linked heterocyclic conducting polymers are investigated using density functional theory (DFT). In order to accurately calculate electronic band gaps, we utilize hybrid…

Materials Science · Physics 2015-03-13 Bryan M. Wong , Joseph G. Cordaro

In measurements of in-room radio channel responses an avalanche effect can be observed: earliest signal components, which appear well separated in delay, are followed by an avalanche of components arriving with increasing rate of…

Mathematical Physics · Physics 2015-05-28 Troels Pedersen , Gerhard Steinböck , Bernard H. Fleury

We consider a wave propagating through a thin disordered slab inside a wire or waveguide of finite width. In the dense weak scattering limit, the statistics for the complex reflection and transmission coefficients (the coherent field) is…

Optics · Physics 2014-10-23 Miztli Yépez , Saenz Juan Jose

We demonstrate that coupled-cluster singles-and-doubles Green's function (GFCCSD) method is a powerful and prominent tool drawing the electronic band structures and the total energies, which many theoretical techniques struggle to…

Materials Science · Physics 2018-05-29 Yoritaka Furukawa , Taichi Kosugi , Hirofumi Nishi , Yu-ichiro Matsushita

The complex band structure of an isolated polyethylene chain is calculated within Density Functional Theory (DFT). A plane wave basis and ultrasoft pseudopotentials are used. The results are compared with those obtained via a local basis…

Materials Science · Physics 2009-11-10 Fabien Picaud , Alexander Smogunov , Andrea Dal Corso , Erio Tosatti

In solid-state physics/chemistry, a precise understanding of defect formation and its impact on the electronic properties of wide-bandgap insulators is a cornerstone of modern semiconductor technology. However, complexities arise in the…

Materials Science · Physics 2023-07-11 Harshan Reddy Gopidi , Lovelesh Vashist , Oleksandr I. Malyi

Complex periodic structures inherit spectral properties from the constituent parts of their unit cells, chiefly their spectral band gaps. Exploiting this intuitive principle, which is made precise in this work, means spectral features of…

Classical Analysis and ODEs · Mathematics 2024-01-15 Lucas Dunckley , Bryn Davies

We report on optical properties of various polymorphs of hafnia predicted within the framework of density functional theory. The full potential linearised augmented plane wave method was employed together with the Tran-Blaha modified…

Materials Science · Physics 2016-09-21 Pavel Ondračka , David Holec , David Nečas , Lenka Zajíčková

In this paper we propose some kinds of two-dimensional square zigzag lattice structures and study their bandgaps and directional propagation of elastic waves. The band structures and the transmission spectra of the systems are calculated by…

Materials Science · Physics 2014-11-24 Yan-Feng Wang , Yue-Sheng Wang , Chuanzeng Zhang

We find that the frequency spectra of layered phononic and photonic composites admit a universal struc- ture, independent of the geometry of the periodic-cell and the specific physical properties. We show that this representation extends to…

Materials Science · Physics 2015-09-18 Gal Shmuel , Ram Band

We discuss the imaging properties of uniaxial epsilon-near-zero metamaterial slabs with possibly tilted optical axis, analyzing their sub-wavelength focusing properties as a function of the design parameters. We derive in closed analytical…

Paradoxically, imaging with resolution much below the wavelength $\lambda$ - now common place in the visible spectrum - remains challenging at lower frequencies, where arguably it is needed most due to the large wavelengths used. Techniques…

Optics · Physics 2023-12-12 Alessandro Tuniz , Boris T. Kuhlmey

Band structure analysis is central to understanding wave propagation in periodic media; however, it becomes challenging in open systems owing to energy leakage. Photonic crystal (PhC) slabs exemplify such systems, featuring periodicity in…

Optics · Physics 2026-03-20 Jie Liu , Ziyun Peng , Qianju Song , Ang Chen , Liping Yang , Chunxiong Zheng , Dezhuan Han

Band structures of several metamaterials are described by generalized eigenvalue equations where complex bands emerge even if the involved matrices are Hermitian. In this paper, we provide a geometrical understanding of the real-complex…

Optics · Physics 2024-09-04 Takuma Isobe , Tsuneya Yoshida , Yasuhiro Hatsugai

We solve the wave equation with periodically time-modulated material parameters in a one-dimensional high-contrast resonator structure in the subwavelength regime exactly, for which we compute the subwavelength quasifrequencies numerically…

Analysis of PDEs · Mathematics 2024-01-04 Habib Ammari , Jinghao Cao , Erik Orvehed Hiltunen , Liora Rueff

Superscattering, induced by degenerate resonances, breaks the fundamental single-channel limit of scattering cross section of subwavelength structures; in principle, an arbitrarily large total cross section can be achieved via…

Classical Physics · Physics 2018-12-17 Chao Qian , Xiao Lin , Yi Yang , Xiaoyan Xiong , Huaping Wang , Erping Li , Ido Kaminer , Baile Zhang , Hongsheng Chen

In this paper, a new method based on Greens function theory and Fourier transform analysis has been proposed for calculating band structure with high accuracy and low processing time. This method utilizes sampling of potential energy in…

Materials Science · Physics 2012-07-13 Milad Khoshnegar , Amir Hossein Hosseinia , Nima Arjmandi , Sina Khorasani

Semiconductor heterostructures with prescribed energy dependence of the transmittance can be designed by combining: {\em a)} Pad\'e approximant reconstruction of the S-matrix; {\em b)} inverse scattering theory for Schro\"dinger's equation;…

Condensed Matter · Physics 2009-10-28 Daniel Bessis , Giorgio Mantica , G. Andrei Mezincescu , Daniel Vrinceanu

\citet{Shmuel2016JMPS} discovered that all infinite band structures of waves at normal incidence in two-phase laminates are encapsulated in a compact universal manifold. We show that manifolds of higher dimensionality encapsulate the band…

Materials Science · Physics 2018-05-23 Ben Lustig , Gal Shmuel

The non-resonant tunneling regime for charge transfer across nanojunctions is critically dependent on the so-called \beta{} parameter, governing the exponential decay of the current as the length of the junction increases. For periodic…