scholarly journals Modeling the Optical Response of Three-Dimensional Disordered Structures Using the Korringa–Kohn–Rostoker Method

Author(s):  
Gabriel Lozano ◽  
Hernán Míguez ◽  
Luis Dorado ◽  
Ricardo Depine
Nano Letters ◽  
2010 ◽  
Vol 10 (11) ◽  
pp. 4456-4462 ◽  
Author(s):  
Huiming Xiong ◽  
Matthew Y. Sfeir ◽  
Oleg Gang

2018 ◽  
Vol 97 (11) ◽  
Author(s):  
Lorenzo Di Mario ◽  
Tadele Orbula Otomalo ◽  
Daniele Catone ◽  
Patrick O’Keeffe ◽  
Lin Tian ◽  
...  

2007 ◽  
Vol 15 (26) ◽  
pp. 17754 ◽  
Author(s):  
Luis A. Dorado ◽  
Ricardo A. Depine ◽  
Gabriel Lozano ◽  
Hernán Míguez

2021 ◽  
Author(s):  
Michele Merano ◽  
Zhemi Xu ◽  
Davide Ferraro ◽  
Annamaria Zaltron ◽  
Nicola Galvanetto ◽  
...  

Abstract The out-of-plane optical constants of two-dimensional materials have proven to be experimentally elusive. Owing to the reduced dimensionality of a monolayer, optical measurements have limited sensitivity to these properties, which are hidden by the optical response of the substrate. Therefore, there remains an absence of scientific consensus on how to correctly model these materials. Theoretical descriptions span from isotropic three-dimensional slabs to two-dimensional surface currents with a null out-of-plane surface susceptibility. Here we perform a smoking gun experiment on the optical response of a single-layer two-dimensional crystal that addresses these problems. We successfully remove the substrate contribution to the optical response of these materials by a step deposition of a monolayer crystal inside a thick polydimethylsiloxane prism. This allows for a reliable determination of both the in-plane and the out-of-plane components of the monolayer surface susceptibility tensor. Our results prescribe one clear theoretical model for these types of material. This work creates opportunities for a precise characterization of the optical properties of two-dimensional crystals in all the optical domains such as the nonlinear response, surface wave phenomena or magneto-optical Kerr effect. Our assay will be relevant to future progresses in photonics and optoelectronics with 2D materials.


2013 ◽  
Vol 30 (10) ◽  
pp. 2731 ◽  
Author(s):  
Cristian Ciracì ◽  
Yaroslav Urzhumov ◽  
David R. Smith

2010 ◽  
Vol 66 (2) ◽  
pp. 141-150 ◽  
Author(s):  
Rihong Cong ◽  
Tao Yang ◽  
Kuo Li ◽  
Hongmei Li ◽  
Liping You ◽  
...  

Ga4B2O9, an aluminium-free mullite-type compound, was prepared by a boric-acid flux method and its structure was determined using powder X-ray diffraction techniques, in combination with transmission electron microscopy, solid-state 11B MAS-NMR and IR spectroscopies. GaO6 octahedra share edges in a trans-manner forming one-dimensional chains along the b direction, and the chains are further cross-linked by GaO5, BO3 and BO4 groups into a three-dimensional mullite-type structure. The disorder of the inter-chain groups results in a small unit cell for Ga4B2O9 compared with that for Al4B2O9, an ordered compound with a superstructure. By deconstructing the structure of Ga4B2O9, we were able to identify the fundamental building units and their linking rules which can be used to reconstruct the ordered and disordered structures. For Ga4B2O9, we found that the structure is intrinsically disordered within the ac plane, but ordered along the b axis. The three-dimensional structure can then be constructed by stacking the disordered ac sheets along the b axis (½b) with a ½a shift. The fundamental building units and exclusivity rules identified in this gallium borate mullite may also be useful for understanding other related mullite phases. The structure analysis applying the proposed method is used to recognize the structural features of Al4B2O9 and Al18B4O33.


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