scholarly journals A Theoretical Study of the Energetic Stability and Geometry of Silicon-Vacancy Color Centers in Diamond (001) Surfaces

2019 ◽  
Vol 9 (24) ◽  
pp. 5471 ◽  
Author(s):  
Yuanhui Pan ◽  
Wei Shen ◽  
Shengnan Shen ◽  
Hui Li
Keyword(s):  
Density Functional ◽  
Theoretical Study ◽  
Single Photon ◽  
Color Centers ◽  
Energy Calculation ◽  
Single Photon Source ◽  
Functional Theory ◽  
Silicon Vacancy ◽  
Energetic Stability ◽  
Photon Source

Single neutral silicon-vacancy ( SiV 0 ) color centers under H-, O-, or N-terminated diamond (001) surfaces were investigated using density functional theory. The formation energy calculation indicated that it is generally easier for SiV 0 to be embedded in an O-terminated diamond (001) surface as compared with H- and N-terminated surfaces, which were effected above the fifth C layer. The effects of the surface termination species on inner diamond atoms decay to be negligible below the fifth C layer. The binding energy results indicated that SiV centers exhibited rather high energetic stability once formed. Additionally, it was revealed that these three surface-terminating species had contracting or expanding effects on inner surface atoms. The calculation for density of states showed that the N-terminated diamond (001) surface served as a suitable medium for single SiV 0 to function as a single-photon source.

Modeling of Transition Metal Color Centers in Diamond

MRS Advances ◽  
2016 ◽  
Vol 1 (16) ◽  
pp. 1113-1117 ◽  
Author(s):  
Nicholas W. Gothard ◽  
Douglas S. Dudis ◽  
Luke J. Bissell
Keyword(s):  
Transition Metal ◽  
Density Functional ◽  
Single Photon ◽  
Color Centers ◽  
Excitation Energies ◽  
Functional Theory ◽  
Transition Metal Atoms ◽  
Electron Correlation Effects ◽  
Different Color ◽  
Photon Source

ABSTRACTDiamond stands out among single-photon sources due to an intrinsically large band gap, photo-stable emission, room-temperature operation, short excited state lifetimes, and the ability to host hundreds of different color centers. Currently, most of these centers are active in the optical spectrum, but a single-photon source in the infrared would represent a significant advancement. In pursuit of this end, a number of different transition metal atoms have been studied as dopants in the diamond lattice via the GAMESS (General Atomic Molecular and Electronic Structure System) cluster calculation package. The importance of cluster size and electron correlation effects is considered, and excitation energies have been calculated via time-dependent density functional theory.

scholarly journals Direct counterfactual communication via quantum Zeno effect

2017 ◽  
Vol 114 (19) ◽  
pp. 4920-4924 ◽  
Author(s):  
Yuan Cao ◽  
Yu-Huai Li ◽  
Zhu Cao ◽  
Juan Yin ◽  
Yu-Ao Chen ◽  
...  
Keyword(s):  
Wave Function ◽  
Quantum Mechanics ◽  
Theoretical Study ◽  
Single Photon ◽  
Single Photon Source ◽  
Quantum Zeno Effect ◽  
Channel One ◽  
Zeno Effect ◽  
Wave Particle Duality ◽  
Photon Source

Intuition from our everyday lives gives rise to the belief that information exchanged between remote parties is carried by physical particles. Surprisingly, in a recent theoretical study [Salih H, Li ZH, Al-Amri M, Zubairy MS (2013) Phys Rev Lett 110:170502], quantum mechanics was found to allow for communication, even without the actual transmission of physical particles. From the viewpoint of communication, this mystery stems from a (nonintuitive) fundamental concept in quantum mechanics—wave-particle duality. All particles can be described fully by wave functions. To determine whether light appears in a channel, one refers to the amplitude of its wave function. However, in counterfactual communication, information is carried by the phase part of the wave function. Using a single-photon source, we experimentally demonstrate the counterfactual communication and successfully transfer a monochrome bitmap from one location to another by using a nested version of the quantum Zeno effect.

Color Centers in Diamond as Practical Single-Photon Source to Illustrate Quantum Complementarity

2006 ◽  
Vol 956 ◽  
Author(s):  
Vincent Jacques ◽  
Steven Regnnie ◽  
Dominique Chauvat ◽  
Jean-François Roch
Keyword(s):  
Quantum Mechanics ◽  
Recent Experiment ◽  
Single Photon ◽  
Color Centers ◽  
Single Photon Source ◽  
Fringe Visibility ◽  
Interference Experiment ◽  
Complementarity Principle ◽  
Path Information ◽  
Photon Source

ABSTRACTA recent experiment performed by S. S. Afshar [reviewed in M. Chown, New Scientist183, 30 (2004)] has been interpreted as a possible violation of the complementarity principle of quantum mechanics. Starting from a single-photon wavefront-splitting interference experiment, we propose a new scheme for Afshar's experiment, and we show that Afshar's interpretation is incorrect. Furthermore, this design is well suited to illustrate the complementarity inequality in the interesting intermediate regimes with partial fringe visibility and partial which-path information.

scholarly journals Cavity-Enhanced Single-Photon Source Based on the Silicon-Vacancy Center in Diamond

2017 ◽  
Vol 7 (2) ◽  
Author(s):  
Julia Benedikter ◽  
Hanno Kaupp ◽  
Thomas Hümmer ◽  
Yuejiang Liang ◽  
Alexander Bommer ◽  
...  
Keyword(s):  
Single Photon ◽  
Single Photon Source ◽  
Silicon Vacancy ◽  
Photon Source ◽  
Vacancy Center

Theoretical Study on the Properties of Phenol and its Ozonide

2012 ◽  
Vol 554-556 ◽  
pp. 1613-1617
Author(s):  
Shuang Kou Chen ◽  
Jian Fang Zhu ◽  
Wen Zhang Huang ◽  
Bai He ◽  
Li Jun Xiang ◽  
...  
Keyword(s):  
Oxidation Reaction ◽  
Density Functional ◽  
Electrophilic Substitution ◽  
Room Temperature ◽  
Theoretical Study ◽  
Natural Bond Orbital ◽  
Energy Calculation ◽  
Functional Theory ◽  
Thermodynamical Properties ◽  
Reaction Routes

Adopting BYLP method in Density Functional Theory (DFT), we make theoretical study on the ozonide-orthophenylphenol, parachlorophenol, orthobenzoquinone and parabenzoquinone in the two reaction routes of phenol oxidizing into benzoquinone with ozone. We get the geometric configuration of molecules, charge distribution of atoms, thermodynamical properties and frontier orbit energy. Natural Bond Orbital(NBO)charge calculation shows that compared with orthobenzoquinone and parabenzoquinone molecules, phenol, orthophenylphenol and parachlorophenol molecules have stronger reactivity and they are more likely to have electrophilic substitution reaction. Thermodynamic properties indicate that phenol is easy to have oxidation reaction and produce orthophenylphenol which is easily to oxidize into orthobenzoquinone no matter at low temperature, room temperature or high temperature. Another reaction pathwaycalculation shows that in thermodynamics, phenol will not easily ozonize into parachlorophenol; while parachlorophenol will easily ozonize into parabenzoquinone. Frontier orbit energy calculation shows that phenol, orthophenylphenol, and parachlorophenol show similar stability. Orthobenzoquinone and parabenzoquinone have the strongest stability.

On-demand single-photon source for 1.3μm telecom fiber

2005 ◽  
Vol 86 (20) ◽  
pp. 201111 ◽  
Author(s):  
M. B. Ward ◽  
O. Z. Karimov ◽  
D. C. Unitt ◽  
Z. L. Yuan ◽  
P. See ◽  
...  
Keyword(s):  
Single Photon ◽  
Single Photon Source ◽  
On Demand ◽  
Photon Source

scholarly journals Theoretical Study of Zirconium Isomorphous Substitution into Zeolite Frameworks

Molecules ◽  
2019 ◽  
Vol 24 (24) ◽  
pp. 4466
Author(s):  
Duichun Li ◽  
Bin Xing ◽  
Baojun Wang ◽  
Ruifeng Li
Keyword(s):  
Acid Site ◽  
Density Functional ◽  
Theoretical Study ◽  
Atomic Radius ◽  
Acid Sites ◽  
Isomorphous Substitution ◽  
Dispersion Correction ◽  
Brønsted Acidity ◽  
Functional Theory ◽  
Brönsted Acidity

Systematic periodic density functional theory computations including dispersion correction (DFT-D) were carried out to determine the preferred location site of Zr atoms in sodalite (SOD) and CHA-type topology frameworks, including alumino-phosphate-34 (AlPO-34) and silico-alumino-phosphate-34 (SAPO-34), and to determine the relative stability and Brönsted acidity of Zr-substituted forms of SOD, AlPO-34, and SAPO-34. Mono and multiple Zr atom substitutions were considered. The Zr substitution causes obvious structural distortion because of the larger atomic radius of Zr than that of Si, however, Zr-substituted forms of zeolites are found to be more stable than pristine zeolites. Our results demonstrate that in the most stable configurations, the preferred favorable substitutions of Zr in substituted SOD have Zr located at the neighboring sites of the Al-substituted site. However, in the AlPO-34 and SAPO-34 frameworks, the Zr atoms are more easily distributed in a dispersed form, rather than being centralized. Brönsted acidity of substituted zeolites strongly depends on Zr content. For SOD, substitution of Zr atoms reduces Brönsted acidity. However, for Zr-substituted forms of AlPO-34 and SAPO-34, Brönsted acidity of the Zr-O(H)-Al acid sites are, at first, reduced and, then, the presence of Zr atoms substantially increased Brönsted acidity of the Zr-O(H)-Al acid site. The results in the SAPO-34-Zr indicate that more Zr atoms substantially increase Brönsted acidity of the Si-O(H)-Al acid site. It is suggested that substituted heteroatoms play an important role in regulating and controlling structural stability and Brönsted acidity of zeolites.

An electrically injected quantum dot spin polarized single photon source

2010 ◽  
Vol 96 (10) ◽  
pp. 101105 ◽  
Author(s):  
Pallab Bhattacharya ◽  
Ayan Das ◽  
Debashish Basu ◽  
Wei Guo ◽  
Junseok Heo
Keyword(s):  
Quantum Dot ◽  
Single Photon ◽  
Single Photon Source ◽  
Spin Polarized ◽  
Photon Source

Heralded single-photon source in a III–V photonic crystal

2013 ◽  
Vol 38 (5) ◽  
pp. 649 ◽  
Author(s):  
Alex S. Clark ◽  
Chad Husko ◽  
Matthew J. Collins ◽  
Gaelle Lehoucq ◽  
Stéphane Xavier ◽  
...  
Keyword(s):  
Photonic Crystal ◽  
Single Photon ◽  
Single Photon Source ◽  
Photon Source
Sign in / Sign up

Export Citation Format

Share Document