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A method based on the particle swarm optimization (PSO) algorithm is presented to design quasi-two-dimensional (Q2D) materials. With this development, various single-layer and bi-layer materials in C, Si, Ge, Sn, and Pb were predicted. A…

Materials Science · Physics 2015-01-20 Wei Luo , Yanming Ma , Xingao Gong , Hongjun Xiang

We deposited Ag_2O films in PLD system on glass substrate for a fixed partial oxygen gas pressure (70 mili Torr) with the variation of laser energy from 75 to 215 mJ/Pulse. The XRD patterns confirm that the films have well crystallinity and…

Chemical Physics · Physics 2018-05-14 Souvik Agasti , Avijit Dewasi , Anirban Mitra

Thin films of amorphous (a)-TiO2 are ubiquitous as photocatalysts, protective coatings, photoanodes and in memory application, where they are exposed to excess electrons and holes. We investigate trapping of excess electrons and holes in…

Materials Science · Physics 2020-08-19 David Mora-Fonz , Moloud Kaviani , Alexander L. Shluger

We introduce a real-space approach to understand the relationship between optical absorption and crystal structure. We apply this approach to alternative phases of silicon, with a focus on the Si$_{20}$ crystal phase as a case study. We…

Materials Science · Physics 2018-01-08 Chin Shen Ong , Sinisa Coh , Marvin L. Cohen , Steven G. Louie

The absorption spectrum of the title compound in the spectral range of the Hydrogen-bonded OH-stretching vibration has been investigated using a five-dimensional gas phase model as well as a QM/MM classical molecular dynamics simulation in…

Chemical Physics · Physics 2015-05-14 Yun-an Yan , M. Petković , Gireesh M. Krishnan , Oliver Kühn

The nitrogen substitution into the oxygen sites of several oxide materials leads to a reduction of the band gap to the visible light energy range, which makes these oxynitride semiconductors potential photocatalysts for efficient solar…

Hydrogenated amorphous silicon (a-Si:H) has remarkable radiation resistance properties and can be deposited on a lot of different substrates. A-Si:H based particle detectors have been built since mid 1980s as planar p-i-n or Schottky diode…

The problem of the geometry of interstitial oxygen in silicon is settled by proper consideration of the quantum delocalization of the oxygen atom around the bond-center position. The calculated infrared absorption spectrum accounts for the…

Condensed Matter · Physics 2009-10-22 Emilio Artacho , Arturo Lizon-Nordstrom , Felix Yndurain

Several amorphous silicon structures were generated using a classical molecular dynamics (MD) protocol of melting and quenching with different quenching rates. An analysis of the calculated electronic properties of these structures revealed…

Materials Science · Physics 2020-12-23 Reza Vatan Meidanshahi , Payam Mehr , Stephan Marshal Goodnick

We have fabricated highly-luminescent samples with erbium-doped amorphous silicon sub-oxide (a-SiOx<Er>) layers on SiO2/Si substrates. The layers are designed to provide a resonance with large modal overlap with the active material and with…

We have investigated the simultaneous absorption of near-infrared photons by pairs of neighboring molecules in liquid methanol. Simultaneous absorption by two OH-stretching modes is found to occur at an energy higher than the sum of the two…

Soft Condensed Matter · Physics 2009-11-13 Sander Woutersen

Topological insulator films are promising materials for optoelectronics due to a strong optical absorption and a thickness dependent band gap of the topological surface states. They are superior candidates for photodetector applications in…

Mesoscale and Nanoscale Physics · Physics 2018-09-11 Mathias Rosdahl Brems , Jens Paaske , Anders Mathias Lunde , Morten Willatzen

The rutile TiO$_2$ (110) surface reduced by the bridging oxygen vacancy, bridging hydroxyl group or Ti interstitial atom has been investigated by calculating their electronic structures using the density functional theory plus U method. It…

Materials Science · Physics 2015-10-13 Daoyu Zhang , Minnan Yang , Shuai Dong

Silicene monolayers grown on Ag(111) surfaces demonstrate a band gap that is tunable by oxygen adatoms from semimetallic to semiconducting type. By using low-temperature scanning tunneling microscopy, it is found that the adsorption…

An optical absorption (OA) band of interstitial dichlorine monoxide molecules with peak at 4.7 eV and halfwidth 0.94 eV is identified in F2 laser - irradiated (photon energy=7.9 eV) synthetic silica glass bearing both interstitial O2 and…

When the sulfur element is hyperdoped into crystalline silicon to a supersaturated density of 1020 cm-3, it can enhance the sub-bandgap light absorption of silicon from 0 to 70%, with the antireflection of surface dome structures. On the…

Materials Science · Physics 2015-06-19 Ke-Fan Wang , Shengchun Qu , Yuanxu Wang , Zhanguo Wang

While Si clathrates have been explored as promising direct bandgap semiconductors, their practical optoelectronic performance has been limited by high doping levels and structural defects. Hydrogen has long been used to improve the…

We report nanosecond time-resolved photoluminescence measurements on the isoelectronic series of oxygen deficient centers in amorphous silica, Si-ODC(II), Ge-ODC(II) and Sn-ODC(II) which are responsible of fluorescence activities at $\sim$4…

Disordered Systems and Neural Networks · Physics 2016-09-28 Michele D'Amico , Fabrizio Messina , Marco Cannas , Maurizio Leone , Roberto Boscaino

We report on WSRT observations of HI and OH absorption at z=0.885 towards the radio lens PKS 1830-21, mm wave transitions of several molecular species have already been observed at this redshift. At mm wavelengths the source structure is…

Astrophysics · Physics 2011-05-23 Jayaram N. Chengalur , A. G. de Bruyn , D. Narasimha

Hydrogenated amorphous silicon (a:Si-H) has recently been recognized as a highly nonlinear CMOS compatible photonic platform. We experimentally demonstrate the generation of a supercontinuum (SC) spanning over 500 nm in a-Si:H photonic wire…

Optics · Physics 2014-10-22 F. Leo , J. Safioui , B. Kuyken , G. Roelkens , S. -P. Gorza