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The phenomenon of high temperature superconductivity, approaching room temperature, has been realized in a number of hydrogen-dominant alloy systems under high pressure conditions1-12. A significant discovery in reaching room temperature…

Utilizations of silicon-based luminescent devices are restricted by the indirect-gap nature of diamond silicon. In this study, the high-throughput method is employed to expedite discoveries of direct-gap silicon crystals. The machine…

Materials Science · Physics 2024-07-04 Rui Wang , Hongyu Yu , Yang Zhong , Hongjun Xiang

Photodetectors are typically based on photocurrent generation from electron-hole pairs in semiconductor structures and on bolometry for wavelengths that are below bandgap absorption. In both cases, resonant plasmonic and nanophotonic…

Mesoscale and Nanoscale Physics · Physics 2016-06-13 Kelly W. Mauser , Slobodan Mitrovic , Seyoon Kim , Dagny Fleischman , Harry A. Atwater

The electronic structure and absorption spectrum of hydrogenated silicon carbide nanocrystals (SiCNC) have been determined by first principles calculations. We show that the reconstructed surface can significantly change not just the onset…

Materials Science · Physics 2015-05-13 Márton Vörös , Péter Deák , Thomas Frauenheim , Adam Gali

A true monolithic infrared photonics platform is within reach if strain and bandgap energy can be independently engineered in SiGeSn semiconductors. Herein, we investigate the structural and optoelectronic properties of a 1.5 {\mu}m-thick…

Ta$_{3}$N$_{5}$ is among the most intensively studied photoanode materials for solar-driven water oxidation, yet its performance often remains limited by short carrier lifetimes and defect mediated recombination. Although transient…

Hyperdoping Si with chalcogens is a topic of great interest due to the strong sub-bandgap absorption exhibited by the resulting material, which can be exploited to develop broadband room-temperature infrared photodetectors using fully…

Materials Science · Physics 2020-09-16 Mao Wang , A. Debernardi , Wenxu Zhang , Chi Xu , Ye Yuan , Yufang Xie , Y. Berencén , S. Prucnal , M. Helm , Shengqiang Zhou

We present a first-principles study of the structural, electronic, and optical properties of hydrogenated amorphous silicon (a-Si:H). To this end, atomic configurations of a-Si:H with 72 and 576 atoms respectively are generated using…

Materials Science · Physics 2017-03-31 Philippe Czaja , Urs Aeberhard , Massimo Celino , Simone Giusepponi , Michele Gusso

Optically active quantum defects play an important role in quantum sensing, computing, and communication. The electronic structure and the single-particle energy levels of these quantum defects in the semiconducting host have been used to…

Quantum Physics · Physics 2023-02-22 Yihuang Xiong , Milena Mathew , Sinéad M. Griffin , Alp Sipahigil , Geoffroy Hautier

The versatile range of applications for two-dimensional (2D) materials has encouraged scientists to further engineer the properties of these materials. This is often accomplished by stacking layered materials into more complex van der Waals…

The dielectric response of materials underpins electronics and photonics. Established semiconductor materials have a narrow range of dielectric susceptibility, with low-frequency values on the order of 10. Strong and variable dielectric…

Materials Science · Physics 2019-07-11 Rafael Jaramillo , Jayakanth Ravichandran

In this paper, we report on the optical absorption in porous silicon. We model the absorption process assuming that porous silicon is a pseudo 1D material system having a distribution of band gaps. We show that in order to explain the…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 Shouvik Datta , K. L. Narasimhan

Hyperdoping has emerged as a promising method for designing semiconductors with unique optical and electronic properties, although such properties currently lack a clear microscopic explanation. Combining computational and experimental…

Energy states below the bandgap of a semiconductor, such as trap states or charge transfer states in organic donor acceptor blends, can contribute to light absorption. Due to their low number density or ultrasmall absorption cross-section,…

Applied Physics · Physics 2019-11-27 Christina Kaiser , Stefan Zeiske , Paul Meredith , Ardalan Armin

Electron stimulated desorption of cyclopentene from the Si(100)-2x1 surface is studied experimentally with cryogenic UHV STM and theoretically with transport, electronic structure, and dynamical calculations. Unexpectedly for a saturated…

Mesoscale and Nanoscale Physics · Physics 2016-08-31 N. L. Yoder , N. P. Guisinger , M. C. Hersam , R. Jorn , C. -C. Kaun , T. Seideman

We demonstrate that the electronic structure of mesoporous silicon is affected by adsorption of nitro-based explosive molecules in a compound-selective manner. This selective response is demonstrated by probing the adsorption of two…

An ideal solar thermal absorber has a sharp transition between high and low absorptance at the wavelength where the blackbody emissive power begins to exceed the solar irradiance. However, most real selective absorbers have a fairly broad…

Optics · Physics 2022-04-12 Eric J. Tervo , Myles A. Steiner

Photons do not carry sufficient momentum to induce indirect optical transitions in semiconducting materials such as silicon, necessitating the assistance of lattice phonons to conserve momentum. Compared to direct bandgap semiconductors,…

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

Pieces of $n$-type silicon with 3.5 k$\Omega \cdot $cm resistivity have been irradiated by reactor neutrons to fluences of (1, 5 and 10) $\times 10^{16}$ cm$^{-2}$. Using light-transmission measurements, the absorption coefficients have…

Materials Science · Physics 2023-05-31 Eckhart Fretwurst , Robert Klanner , Joern Schwandt , Annika Vauth