Related papers: Low-density silicon allotropes for photovoltaic ap…
Photothermal (photonic) sintering crystallizes as-deposited amorphous LiCoO2 (LCO) cathodes for solid-state thin-film batteries using millisecond, surface-localized heating. However, process design often relies on 1D models with…
Studying materials under extreme pressure in diamond anvil cells (DACs) is key to discovering new states of matter, yet no method currently allows the direct measurement of the electronic structure in this environment. Solid-state high…
Silicon is an excellent material for microelectronics and integrated photonics with untapped potential for mid-IR optics. Despite broad recognition of the importance of the third dimension, current lithography methods do not allow…
A novel liquid-liquid phase transition has been proposed and investigated in a wide variety of pure substances recently, including water, silica and silicon. From computer simulations using the Stillinger-Weber classical empirical…
A gyroid structure is a distinct morphology that is triply periodic and consists of minimal isosurfaces containing no straight lines. We have designed and synthesized amorphous silicon (a-Si) mid-infrared gyroid photonic crystals that…
Cathodes are critical components of rechargeable batteries. Conventionally, the search for cathode materials relies on experimental trial-and-error and a traversing of existing computational/experimental databases. While these methods have…
Electron tomography is a technique used in both materials science and structural biology to image features well below optical resolution limit. In this work, we present a new algorithm for reconstructing the three-dimensional(3D)…
We describe the application of the locally-self-consistent-multiple-scattering (LSMS)[1] method to amorphous alloys. The LSMS algorithm is optimized for the Intel XP/S-150, a multiple-instruction-multiple-data parallel computer with 1024…
A recent computational result suggests that highly confined modes can be realized by all-dielectric metamaterials (S. Jahani et. al., Optica 1, 96 (2014)). This substantially decreases crosstalk between dielectric waveguides, paving the way…
The demand for advanced photonics technology is increasing rapidly, fueled by the necessity for high-performance and cost-effective optical information processing systems extending into the quantum domain. Silicon, benefiting from its…
Photonic integrated circuits utilize planar waveguides to process light on a chip, encompassing functions like generation, routing, modulation, and detection. Similar to the advancements in the electronics industry, photonics research is…
Point defect complexes in crystalline silicon composed of hydrogen, nitrogen, and oxygen atoms are studied within density-functional theory (DFT). Ab initio Random Structure Searching (AIRSS) is used to find low-energy defect structures. We…
We present direct imaging measurements of charge transport across a 1 cm x 1 cm x 4 mm-thick crystal of high purity silicon ($\sim$15 k$\Omega$-cm) at temperatures of 5 K and 500 mK. We use these data to measure the lateral diffusion of…
We show that new silicon crystalline phases, observed in the experiment with the laser-induced microexplosions inside silicon crystals (Rapp et al. // Nat. Commun. 6, 7555 (2015)), are all superstructures of a disordered high-symmetry phase…
Renewable energy resources have emerged as the best alternatives to fossil fuel energy which are rapidly declining with time. Here, eight valence-electron count Half-Heusler(HH) alloys have been studied using reliable first principles…
Strained coherent heteroepitaxy of III-V semiconductor films such as In$_x$Ga$_{1-x}$As/GaAs has potential for electronic and optoelectronic applications such as high density logic, quantum computing architectures, laser diodes, and other…
Broadband mid-infrared (mid-IR) spectroscopy applications could greatly benefit from today's well-developed, highly scalable silicon photonics technology; however, this platform lacks broadband transparency due to its reliance on absorptive…
Kesterite I$_2$-II-IV-V$_4$ semiconductors are promising solar absorbers for photovoltaics applications. The band gap and it's character, either direct or indirect, are fundamental properties determining photovoltaic-device efficiency. We…
The atomic and electronic structure of a set of proposed thin (1.6 nm in diameter) silicon/silica quantum nanodots and nanowires with narrow interface, as well as parent metastable silicon structures (1.2 nm in diameter), was studied in…
Lithium (Li) is a prototypical simple metal at ambient conditions, but exhibits remarkable changes in structural and electronic properties under compression. There has been intense debate about the structure of dense Li, and recent…