DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: How carbon vacancies can affect the properties of group IV color centers in diamond: A study of thermodynamics and kinetics

 [1];  [2];  [3]
  1. Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA
  2. Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA, John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA
  3. John A. Paulson School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA, Department of Electrical and Computer Engineering, Howard University, Washington, DC 20059, USA
Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Applied Physics
Additional Journal Information:
Journal Name: Journal of Applied Physics Journal Volume: 126 Journal Issue: 19; Journal ID: ISSN 0021-8979
American Institute of Physics
Country of Publication:
United States

Citation Formats

Kuate Defo, Rodrick, Kaxiras, Efthimios, and Richardson, Steven L. How carbon vacancies can affect the properties of group IV color centers in diamond: A study of thermodynamics and kinetics. United States: N. p., 2019. Web. doi:10.1063/1.5123227.
Kuate Defo, Rodrick, Kaxiras, Efthimios, & Richardson, Steven L. How carbon vacancies can affect the properties of group IV color centers in diamond: A study of thermodynamics and kinetics. United States.
Kuate Defo, Rodrick, Kaxiras, Efthimios, and Richardson, Steven L. Thu . "How carbon vacancies can affect the properties of group IV color centers in diamond: A study of thermodynamics and kinetics". United States.
title = {How carbon vacancies can affect the properties of group IV color centers in diamond: A study of thermodynamics and kinetics},
author = {Kuate Defo, Rodrick and Kaxiras, Efthimios and Richardson, Steven L.},
abstractNote = {},
doi = {10.1063/1.5123227},
journal = {Journal of Applied Physics},
number = 19,
volume = 126,
place = {United States},
year = {2019},
month = {11}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Enhanced generation of single optically active spins in diamond by ion implantation
journal, April 2010

  • Naydenov, Boris; Richter, V.; Beck, Johannes
  • Applied Physics Letters, Vol. 96, Issue 16
  • DOI: 10.1063/1.3409221

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Inverse design of large-area metasurfaces
journal, January 2018

  • Pestourie, Raphaël; Pérez-Arancibia, Carlos; Lin, Zin
  • Optics Express, Vol. 26, Issue 26
  • DOI: 10.1364/OE.26.033732

All-optical nanoscale thermometry with silicon-vacancy centers in diamond
journal, May 2018

  • Nguyen, Christian T.; Evans, Ruffin E.; Sipahigil, Alp
  • Applied Physics Letters, Vol. 112, Issue 20
  • DOI: 10.1063/1.5029904

Controlling the coherence of a diamond spin qubit through its strain environment
journal, May 2018

Observation of the Ge-vacancy color center in microcrystalline diamond films
journal, June 2015

  • Ralchenko, V. G.; Sedov, V. S.; Khomich, A. A.
  • Bulletin of the Lebedev Physics Institute, Vol. 42, Issue 6
  • DOI: 10.3103/S1068335615060020

Ab Initio Magneto-Optical Spectrum of Group-IV Vacancy Color Centers in Diamond
journal, June 2018

The electronic states of the neutral vacancy in diamond: a quantum mechanical approach
journal, March 2016

  • Zelferino, Alessandro; Salustro, Simone; Baima, Jacopo
  • Theoretical Chemistry Accounts, Vol. 135, Issue 3
  • DOI: 10.1007/s00214-016-1813-0

Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
journal, January 2016

  • Manz, Thomas A.; Limas, Nidia Gabaldon
  • RSC Advances, Vol. 6, Issue 53
  • DOI: 10.1039/C6RA04656H

Germanium-Vacancy Single Color Centers in Diamond
journal, August 2015

  • Iwasaki, Takayuki; Ishibashi, Fumitaka; Miyamoto, Yoshiyuki
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep12882

Comparison between cluster and supercell approaches: the case of defects in diamond
journal, March 2017

  • Salustro, Simone; Ferrari, Anna Maria; Orlando, Roberto
  • Theoretical Chemistry Accounts, Vol. 136, Issue 4
  • DOI: 10.1007/s00214-017-2071-5

Energetics and kinetics of vacancy defects in 4 H -SiC
journal, September 2018

Indistinguishable Photons from Separated Silicon-Vacancy Centers in Diamond
journal, September 2014

Theory of Spin-Conserving Excitation of the N V Center in Diamond
journal, October 2009

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Direct writing of single germanium vacancy center arrays in diamond
journal, December 2018

Coherent Dynamics of Coupled Electron and Nuclear Spin Qubits in Diamond
journal, October 2006

Chemically Meaningful Atomic Charges That Reproduce the Electrostatic Potential in Periodic and Nonperiodic Materials
journal, July 2010

  • Manz, Thomas A.; Sholl, David S.
  • Journal of Chemical Theory and Computation, Vol. 6, Issue 8
  • DOI: 10.1021/ct100125x

High Carrier Mobility in Single-Crystal Plasma-Deposited Diamond
journal, September 2002

  • Isberg, Jan; Hammersberg, Johan; Johansson, Erik
  • Science, Vol. 297, Issue 5587, p. 1670-1672
  • DOI: 10.1126/science.1074374

Screening and engineering of colour centres in diamond
journal, October 2018

  • Lühmann, Tobias; Raatz, Nicole; John, Roger
  • Journal of Physics D: Applied Physics, Vol. 51, Issue 48
  • DOI: 10.1088/1361-6463/aadfab

Characterization of optical and spin properties of single tin-vacancy centers in diamond nanopillars
journal, May 2019

Single atom doping for quantum device development in diamond and silicon
journal, November 2008

  • Weis, C. D.; Schuh, A.; Batra, A.
  • Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 26, Issue 6
  • DOI: 10.1116/1.2968614

Silicon-Vacancy Spin Qubit in Diamond: A Quantum Memory Exceeding 10 ms with Single-Shot State Readout
journal, November 2017

Lead-related quantum emitters in diamond
journal, February 2019

Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
journal, December 2008

XSEDE: Accelerating Scientific Discovery
journal, September 2014

  • Towns, John; Cockerill, Timothy; Dahan, Maytal
  • Computing in Science & Engineering, Vol. 16, Issue 5
  • DOI: 10.1109/MCSE.2014.80

Ab initio study of the split silicon-vacancy defect in diamond: Electronic structure and related properties
journal, December 2013

Observation of an environmentally insensitive solid-state spin defect in diamond
journal, July 2018

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Characterization of hydrogen and silicon-related defects in CVD diamond by electron spin resonance
journal, November 2002

A climbing image nudged elastic band method for finding saddle points and minimum energy paths
journal, December 2000

  • Henkelman, Graeme; Uberuaga, Blas P.; Jónsson, Hannes
  • The Journal of Chemical Physics, Vol. 113, Issue 22, p. 9901-9904
  • DOI: 10.1063/1.1329672

Electron paramagnetic resonance studies of silicon-related defects in diamond
journal, June 2008

Extending spin coherence times of diamond qubits by high-temperature annealing
journal, August 2013

Silicon defects in diamond
journal, June 1995

Ultrafast all-optical coherent control of single silicon vacancy colour centres in diamond
journal, November 2016

  • Becker, Jonas Nils; Görlitz, Johannes; Arend, Carsten
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms13512

Germanium: a new catalyst for diamond synthesis and a new optically active impurity in diamond
journal, October 2015

  • Palyanov, Yuri N.; Kupriyanov, Igor N.; Borzdov, Yuri M.
  • Scientific Reports, Vol. 5, Issue 1
  • DOI: 10.1038/srep14789

Coherent control of the silicon-vacancy spin in diamond
journal, May 2017

  • Pingault, Benjamin; Jarausch, David-Dominik; Hepp, Christian
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15579

Creation efficiency of nitrogen-vacancy centres in diamond
journal, June 2010

Optical properties of the neutral silicon split-vacancy center in diamond
journal, December 2011

  • D'Haenens-Johansson, U. F. S.; Edmonds, A. M.; Green, B. L.
  • Physical Review B, Vol. 84, Issue 24
  • DOI: 10.1103/PhysRevB.84.245208

High-pressure synthesis and characterization of Sn-doped single crystal diamond
journal, March 2019

Solid-state electronic spin coherence time approaching one second
journal, April 2013

  • Bar-Gill, N.; Pham, L. M.; Jarmola, A.
  • Nature Communications, Vol. 4, Issue 1
  • DOI: 10.1038/ncomms2771

All-Optical Control of the Silicon-Vacancy Spin in Diamond at Millikelvin Temperatures
journal, January 2018

The Twelve-Line 1.682 eV Luminescence Center in Diamond and the Vacancy-Silicon Complex
journal, September 1996

Single photon emission from silicon-vacancy colour centres in chemical vapour deposition nano-diamonds on iridium
journal, February 2011

The nitrogen-vacancy colour centre in diamond
journal, July 2013

High-Pressure Synthesis and Characterization of Ge-Doped Single Crystal Diamond
journal, May 2016

  • Palyanov, Yuri N.; Kupriyanov, Igor N.; Borzdov, Yuri M.
  • Crystal Growth & Design, Vol. 16, Issue 6
  • DOI: 10.1021/acs.cgd.6b00481

Single-Photon Emitters in Lead-Implanted Single-Crystal Diamond
journal, November 2018

All-Optical Initialization, Readout, and Coherent Preparation of Single Silicon-Vacancy Spins in Diamond
journal, December 2014

Ultralong spin coherence time in isotopically engineered diamond
journal, April 2009

  • Balasubramanian, Gopalakrishnan; Neumann, Philipp; Twitchen, Daniel
  • Nature Materials, Vol. 8, Issue 5
  • DOI: 10.1038/nmat2420

Tin-Vacancy Quantum Emitters in Diamond
journal, December 2017

Effect of Si, Ge and Sn dopant elements on structure and photoluminescence of nano- and microdiamonds synthesized from organic compounds
journal, March 2019

Optical and microwave control of germanium-vacancy center spins in diamond
journal, August 2017

Natural population analysis
journal, July 1985

  • Reed, Alan E.; Weinstock, Robert B.; Weinhold, Frank
  • The Journal of Chemical Physics, Vol. 83, Issue 2
  • DOI: 10.1063/1.449486

Electron–phonon processes of the silicon-vacancy centre in diamond
journal, April 2015

All-Optical Formation of Coherent Dark States of Silicon-Vacancy Spins in Diamond
journal, December 2014

Spectroscopy of Single N-V Centers in Diamond
journal, December 2001

On the presence of non-nuclear attractors in the charge distributions of Li and Na clusters
journal, November 1987

Germanium–vacancy color center in isotopically enriched diamonds synthesized at high pressures
journal, December 2015

Vacancy clusters in diamond studied by electron spin resonance
journal, September 2004

Accurate formation energies of charged defects in solids: A systematic approach
journal, June 2017

  • Vinichenko, Dmitry; Sensoy, Mehmet Gokhan; Friend, Cynthia M.
  • Physical Review B, Vol. 95, Issue 23
  • DOI: 10.1103/PhysRevB.95.235310

Single-Photon-Emitting Optical Centers in Diamond Fabricated upon Sn Implantation
journal, October 2017

Tailoring spin defects in diamond by lattice charging
journal, May 2017

  • Fávaro de Oliveira, Felipe; Antonov, Denis; Wang, Ya
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms15409

Isotopically varying spectral features of silicon-vacancy in diamond
journal, November 2014

Generation of single color centers by focused nitrogen implantation
journal, December 2005

  • Meijer, J.; Burchard, B.; Domhan, M.
  • Applied Physics Letters, Vol. 87, Issue 26
  • DOI: 10.1063/1.2103389

Theoretical Studies of Sulfur and Sulfur-Hydrogen Complexes in Diamond
journal, October 2002

The (eg ⊗ eu) ⊗ Eg product Jahn–Teller effect in the neutral group-IV vacancy quantum bits in diamond
journal, February 2019

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

First principles phonon calculations in materials science
journal, November 2015

The Fermi level in diamond
journal, March 2002

Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion
journal, October 1991

Anharmonicity effects in impurity-vacancy centers in diamond revealed by isotopic shifts and optical measurements
journal, March 2017

First-principles calculations for point defects in solids
journal, March 2014

  • Freysoldt, Christoph; Grabowski, Blazej; Hickel, Tilmann
  • Reviews of Modern Physics, Vol. 86, Issue 1
  • DOI: 10.1103/RevModPhys.86.253

Quantum technologies with optically interfaced solid-state spins
journal, August 2018

Single Crystal Diamond Membranes and Photonic Resonators Containing Germanium Vacancy Color Centers
journal, November 2018

Ab initio supercell calculations on nitrogen-vacancy center in diamond: Electronic structure and hyperfine tensors
journal, April 2008

One-second coherence for a single electron spin coupled to a multi-qubit nuclear-spin environment
journal, June 2018

Optical properties of vacancy related defects in diamond
journal, September 2005

  • Hounsome, L. S.; Jones, R.; Martineau, P. M.
  • physica status solidi (a), Vol. 202, Issue 11
  • DOI: 10.1002/pssa.200561914

Initialization and Readout of Nuclear Spins via a Negatively Charged Silicon-Vacancy Center in Diamond
journal, May 2019

Parallel BFS implementing optimized decomposition of space and kMC simulations for diffusion of vacancies for quantum storage
journal, September 2019

Quantum Nonlinear Optics with a Germanium-Vacancy Color Center in a Nanoscale Diamond Waveguide
journal, May 2017

Tin-vacancy in diamonds for luminescent thermometry
journal, June 2018

  • Alkahtani, Masfer; Cojocaru, Ivan; Liu, Xiaohan
  • Applied Physics Letters, Vol. 112, Issue 24
  • DOI: 10.1063/1.5037053

Formation of NV centers in diamond: A theoretical study based on calculated transitions and migration of nitrogen and vacancy related defects
journal, February 2014

Implantation of labelled single nitrogen vacancy centers in diamond using N15
journal, January 2006

  • Rabeau, J. R.; Reichart, P.; Tamanyan, G.
  • Applied Physics Letters, Vol. 88, Issue 2
  • DOI: 10.1063/1.2158700

Electronic Structure of the Silicon Vacancy Color Center in Diamond
journal, January 2014

Tin-vacancy color centers in micro- and polycrystalline diamonds synthesized at high pressures
journal, August 2018