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Using our recently proposed Bethe-Salpeter $G_0W_0$ formulation, we explore the optical absorption spectra of fullerene (C$_{60}$) near coinage metal surfaces (Cu, Ag, and Au). We pay special attention to how the surface plasmon $\omega_S$…

Materials Science · Physics 2014-08-28 V. Despoja , D. J. Mowbray

We present an alternative methodology for calculating the quasi-particle energy, energy loss, and optical spectra of a molecule deposited on graphene or a metallic substrate. To test the accuracy of the method it is first applied to the…

Mesoscale and Nanoscale Physics · Physics 2014-08-28 V. Despoja , I. Lončarić , D. J. Mowbray , L. Marušić

Surface plasmon resonance (SPR) has been intensively investigated and widely exploited to trap the incident light and enhance absorption in the optoelectronic devices. The availability of graphene as a plasmonic material with strong…

Surface plasmon resonance (SPR) has been widely utilized to improve the absorption performance in the photosensors. Graphene has emerged as a promising plasmonic material, which supports tunable SPR and shows significant flexibility over…

Optics · Physics 2018-09-11 Shuyuan Xiao , Tao Wang , Xiaoyun Jiang , Boyun Wang , Chen Xu

A first-principles study on the quasiparticles energy and optical absorption spectrum of fluorographene is presented by employing the GW + Bethe-Salpeter Equation (BSE) method with many-electron effects included. The calculated band gap is…

Mesoscale and Nanoscale Physics · Physics 2019-06-05 Yufeng Liang , Li Yang

Optimizing the photovoltaic efficiency of dye-sensitized solar cells (DSSC) based on staggered gap heterojunctions requires a detailed understanding of sub-band gap transitions in the visible from the dye directly to the substrate's…

Materials Science · Physics 2016-06-22 Duncan John Mowbray , Annapaola Migani

Broadband absorption in the visible spectrum is essential in optoelectronic applications that involve power conversion such as photovoltaics and photocatalysis. Most ultrathin broadband absorbers use parasitic plasmonic structures that…

The absorption spectra of single-layer GaSe and GaTe in the hexagonal phase feature exciton peaks with distinct polarization selectivity. We investigate these distinct features from first-principle calculations using the GW-BSE formalisms.…

Materials Science · Physics 2018-05-11 Gabriel Antonius , Diana Y. Qiu , Steven G. Louie

Phosphorene is a bidimensional material that has properties useful for semiconductor devices. In this work we studied the electronic and optical properties of this material using the $GW$ approximation and the Bethe-Salpeter equation (BSE)…

Mesoscale and Nanoscale Physics · Physics 2017-11-16 Fábio Ferreira , Ricardo Mendes Ribeiro

We present an efficient way to solve the Bethe-Salpeter equation (BSE), a model for the computation of absorption spectra in molecules and solids that includes electron-hole excitations. Standard approaches to construct and diagonalize the…

Computational Physics · Physics 2018-02-01 Wei Hu , Meiyue Shao , Andrea Cepellotti , Felipe H. da Jornada , Lin Lin , Kyle Thicke , Chao Yang , Steven G. Louie

Biased bilayer graphene, with its easily tunable band gap, presents itself as the ideal system to explore the excitonic effect in graphene based systems. In this paper we study the excitonic optical response of such a system by combining a…

Mesoscale and Nanoscale Physics · Physics 2022-01-20 J. C. G. Henriques , Itai Epstein , N. M. R. Peres

We study a highly controllable perfect plasmonic absorber -- a thin metamaterial layer which possess balanced electric and magnetic responses in some frequency range. We show that this regime is compatible with both metal-backed variant of…

Optics · Physics 2016-01-25 Mikhail Omelyanovich , Younes Ra'di , Constantin Simovski

We describe an all-electron implementation of the Bethe-Salpeter equation (BSE) for the calculation of optical absorption spectra in the full-potential linearized augmented-plane-wave (FLAPW) method. So far, FLAPW implementations have…

Materials Science · Physics 2026-03-27 Jörn Stöhler , Stefan Blügel , Christoph Friedrich

The improvement of light absorption in Si/BeSe$_{0.41}$Te$_{0.59}$ heterostructures for solar cell applications is studied theoretically. First, using simple approaches we found that light absorption could be improved in a single…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 T. Sandu , W. P. Kirk

The design and fabrication of a metal-dielectric-metal absorber that achieves strong absorption from the ultraviolet (UV) to the near-infrared (near-IR) spectrum are presented. The proposed nanostructure consists of a periodic titanium (Ti)…

Optics · Physics 2025-06-23 Partha Mondal , Omar Alkhazragi , Hakan Bagci

Strong light confinement is highly necessary for various applications, including sensing. MXene, a novel and emerging material with a broadband plasmonic response, has been highly utilized in electronic sensing systems, as well has garnered…

An optical absorption spectrum constitutes one of the most fundamental material characteristics, with relevant applications ranging from material identification to energy harvesting and optoelectronics. However, the database of both…

Materials Science · Physics 2022-09-20 Ruo Xi Yang , Matthew K. Horton , Jason Munro , Kristin A. Persson

Spectrally-tailored interactions of light with material interfaces offer many exciting applications in sensing, photo-detection, and optical energy conversion. In particular, complete suppression of light reflectance at select frequencies…

Optics · Physics 2018-05-18 Svetlana V Boriskina , Yoichiro Tsurimaki

The lowest electronic excitations of benzene and a set of donor-acceptor molecular complexes are calculated for the gas phase and on the Al(111) surface using the many-body Bethe-Salpeter equation (BSE). The energy of the charge-transfer…

Mesoscale and Nanoscale Physics · Physics 2015-05-27 J. M. Garcia-Lastra , K. S. Thygesen

Plasmonics can be used to improve absorption in optoelectronic devices and has been intensively studied for solar cells and photodetectors. Graphene has recently emerged as a powerful plasmonic material. It shows significantly less losses…

Optics · Physics 2015-05-13 Jianfa Zhang , Zhihong Zhu , Wei Liu , Xiaodong Yuan , Shiqiao Qin
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