@article{Vanderbilt1990,
author = {Vanderbilt, David},
doi = {10.1103/PhysRevB.41.7892},
issn = {0163-1829},
journal = {Phys. Rev. B},
month = {apr},
number = {11},
pages = {7892--7895},
publisher = {American Physical Society},
title = {{Soft self-consistent pseudopotentials in a generalized eigenvalue formalism}},
year = {1990}
}

@article{Makov1995,
author = {Makov, G. and Payne, M. C.},
doi = {10.1103/PhysRevB.51.4014},
issn = {01631829},
journal = {Phys. Rev. B},
number = {7},
pages = {4014--4022},
pmid = {9979237},
title = {{Periodic boundary conditions in ab initio calculations}},
volume = {51},
year = {1995}
}

@article{Perdew1996,
author = {Perdew, John P. and Burke, Kieron and Ernzerhof, Matthias},
doi = {10.1103/PhysRevLett.77.3865},
issn = {10797114},
journal = {Phys. Rev. Lett.},
month = {oct},
number = {18},
pages = {3865--3868},
pmid = {10062328},
publisher = {American Physical Society},
title = {{Generalized gradient approximation made simple}},
volume = {77},
year = {1996}
}

@article{Dudarev1998,
  title = {Electron-energy-loss spectra and the structural stability of nickel oxide:  An LSDA+U study},
  author = {Dudarev, S. L. and Botton, G. A. and Savrasov, S. Y. and Humphreys, C. J. and Sutton, A. P.},
  journal = {Phys. Rev. B},
  volume = {57},
  issue = {3},
  pages = {1505--1509},
  numpages = {0},
  year = {1998},
  month = {Jan},
  publisher = {American Physical Society},
  doi = {10.1103/PhysRevB.57.1505}
}

@article{Lombardi2003,
author = {Lombardi, E. B. and Mainwood, Alison and Osuch, K. and Reynhardt, E. C.},
doi = {10.1088/0953-8984/15/19/314},
issn = {09538984},
journal = {J. Phys. Condens. Matter},
number = {19},
pages = {3135--3149},
title = {{Computational models of the single substitutional nitrogen atom in diamond}},
volume = {15},
year = {2003}
}

@article{Clark2005,
author = {Clark, S. J. and Segall, M. D. and Pickard, C. J. and Hasnip, P. J. and Probert, M. I. J. and Refson, K. and Payne, M. C.},
doi = {10.1524/zkri.220.5.567.65075},
journal = {Z. Kristallogr. Cryst. Mater},
number = {5/6},
pages = {567--570},
title = {{First principles methods using CASTEP}},
volume = {220},
year = {2005}
}

@article{Hanson2008,
author = {Hanson, R. and Dobrovitski, V. V. and Feiguin, A. E. and Gywat, O. and Awschalom, D. D.},
doi = {10.1126/science.1155400},
issn = {00368075},
journal = {Science},
number = {5874},
pages = {352--355},
title = {{Coherent dynamics of a single spin interacting with an adjustable spin bath}},
volume = {320},
year = {2008}
}

@article{Alkauskas2008,
author = {Alkauskas, Audrius and Broqvist, Peter and Pasquarello, Alfredo},
doi = {10.1103/PhysRevLett.101.046405},
eprint = {0807.4647},
issn = {00319007},
journal = {Phys. Rev. Lett.},
number = {4},
pages = {25--28},
title = {{Defect energy levels in density functional calculations: Alignment and band gap problem}},
volume = {101},
year = {2008}
}

@article{Lany2008,
author = {Lany, Stephan and Zunger, Alex},
doi = {10.1103/PhysRevB.78.235104},
issn = {10980121},
journal = {Phys. Rev. B},
number = {23},
pages = {17--20},
title = {{Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs}},
volume = {78},
year = {2008}
}

@article{Freysoldt2009,
author = {Freysoldt, Christoph and Neugebauer, J{\"{o}}rg and {Van De Walle}, Chris G.},
doi = {10.1103/PhysRevLett.102.016402},
issn = {00319007},
journal = {Phys. Rev. Lett.},
number = {1},
pages = {1--4},
pmid = {19257218},
title = {{Fully Ab initio finite-size corrections for charged-defect supercell calculations}},
volume = {102},
year = {2009}
}

@article{Komsa2012,
author = {Komsa, Hannu Pekka and Rantala, Tapio T. and Pasquarello, Alfredo},
doi = {10.1103/PhysRevB.86.045112},
issn = {10980121},
journal = {Phys. Rev. B},
number = {4},
pages = {1--16},
title = {{Finite-size supercell correction schemes for charged defect calculations}},
volume = {86},
year = {2012}
}


@article{Benecha2011,
author = {Benecha, E. M. and Lombardi, E. B.},
doi = {10.1103/PhysRevB.84.235201},
issn = {10980121},
journal = {Phys. Rev. B},
number = {23},
pages = {1--9},
title = {{Cr in diamond: A first-principles study}},
volume = {84},
year = {2011}
}

@article{Zhao2011,
  author       = {Zhao, Nan and Hu, Jian-Liang and Ho, Sai-Wah and Wan, Jones T. K. and Liu, R. B.},
  title        = {Atomic-scale magnetometry of distant nuclear spin clusters via nitrogen-vacancy spin in diamond},
  journal      = {Nat. Nanotechnol},
  volume       = {6},
  number       = {4},
  pages        = {242--246},
  year         = {2011},
  month        = {April},
  doi          = {10.1038/nnano.2011.22},
  issn         = {1748-3395}
}

@article{Nemoto2014,
author = {Nemoto, Kae and Trupke, Michael and Devitt, Simon J. and Stephens, Ashley M. and Scharfenberger, Burkhard and Buczak, Kathrin and N{\"{o}}bauer, Tobias and Everitt, Mark S. and Schmiedmayer, J{\"{o}}rg and Munro, William J.},
doi = {10.1103/PhysRevX.4.031022},
eprint = {1309.4277},
issn = {21603308},
journal = {Phys. Rev. X},
keywords = {condensed matter physics,photonics},
number = {3},
pages = {1--12},
title = {{Photonic architecture for scalable quantum information processing in diamond}},
volume = {4},
year = {2014}
}

@article{Magyar2014,
author = {Magyar, Andrew and Hu, Wenhao and Shanley, Toby and Flatt{\'{e}}, Michael E. and Hu, Evelyn and Aharonovich, Igor},
doi = {10.1038/ncomms4523},
issn = {20411723},
journal = {Nat. Commun.},
pages = {1--6},
title = {{Synthesis of luminescent europium defects in diamond}},
volume = {5},
year = {2014}
}

@article{Kumagai2014,
author = {Kumagai, Yu and Oba, Fumiyasu},
doi = {10.1103/PhysRevB.89.195205},
eprint = {1402.1226},
issn = {1550235X},
journal = {Phys. Rev. B},
number = {19},
title = {{Electrostatics-based finite-size corrections for first-principles point defect calculations}},
volume = {89},
year = {2014}
}

@article{Freysoldt2014,
author = {Freysoldt, Christoph and Grabowski, Blazej and Hickel, Tilmann and Neugebauer, J{\"{o}}rg and Kresse, Georg and Janotti, Anderson and {Van De Walle}, Chris G.},
doi = {10.1103/RevModPhys.86.253},
issn = {15390756},
journal = {Rev. Mod. Phys.},
number = {1},
pages = {253--305},
title = {{First-principles calculations for point defects in solids}},
volume = {86},
year = {2014}
}


@article{Doherty2016,
author = {Doherty, M. W. and Meriles, C. A. and Alkauskas, A. and Fedder, H. and Sellars, M. J. and Manson, N. B.},
doi = {10.1103/PhysRevX.6.041035},
issn = {21603308},
journal = {Phys. Rev. X},
keywords = {quantum information,semiconductor physics,spintronics},
number = {4},
pages = {1--14},
title = {{Towards a room-temperature spin quantum bus in diamond via electron photoionization, transport, and capture}},
volume = {6},
year = {2016}
}

@article{Cajzl2017,
author = {Cajzl, Jakub and others},
doi = {10.1039/c6cp08851a},
issn = {14639076},
journal = {Phys. Chem. Chem. Phys.},
number = {8},
pages = {6233--6245},
pmid = {28195287},
title = {{Erbium ion implantation into diamond-measurement and modelling of the crystal structure}},
volume = {19},
year = {2017}
}

@article{Ekimov2017,
author = {Ekimov, E. A. and Zibrov, I. P. and Malykhin, S. A. and Khmelnitskiy, R. A. and Vlasov, I. I.},
doi = {10.1016/j.matlet.2017.01.110},
issn = {18734979},
journal = {Mater. Lett.},
keywords = {Defects,Diamond,HPHT,Luminescence,Phase transformation,Rare earth elements},
pages = {130--132},
publisher = {Elsevier B.V.},
title = {{Synthesis of diamond in double carbon-rare earth element systems}},
volume = {193},
year = {2017}
}

@article{Sedov2017,
author = {Sedov, V. S. and Et al.},
doi = {10.1016/j.diamond.2016.12.022},
issn = {09259635},
journal = {Diam. Relat. Mater.},
keywords = {Diamond film,Europium fluoride,Photoluminescence,Rare earths},
pages = {47--52},
publisher = {Elsevier B.V},
title = {{Diamond-EuF3 nanocomposites with bright orange photoluminescence}},
volume = {72},
year = {2017}
}

@article{Benecha2018,
author = {Benecha, E. M. and Lombardi, E. B.},
doi = {10.1063/1.5006565},
issn = {10897550},
journal = {J. Appl. Phys.},
number = {18},
pages = {185706},
title = {{Cu doped diamond: Effect of charge state and defect aggregation on spin interactions in a 3 d transition metal doped wide band-gap semiconductor}},
volume = {123},
year = {2018}
}

@article{Cajzl2018,
author = {Cajzl, Jakub and Akhetova, Banu and Nekvindov{\'{a}}, Pavla and Mackov{\'{a}}, Anna and Malinsk{\'{y}}, Petr and Oswald, Jir{\'{i}} and Reme{\v{s}}, Zden{\v{e}}k and Varga, Mari{\'{a}}n and Kromka, Alexander},
doi = {10.1002/sia.6407},
issn = {10969918},
journal = {SIA},
keywords = {diamond,erbium,ion implantation,luminescence,nano-crystalline diamond,ytterbium},
number = {11},
pages = {1218--1223},
title = {{Co-implantation of Er and Yb ions into single-crystalline and nano-crystalline diamond}},
volume = {50},
year = {2018}
}

@article{Tan2018,
author = {Tan, Xin and Liu, Tiebang and Liu, Xuejie and Ren, Yuan and Sun, Shiyang and Jia, Huiling and Liu, Zhixin and Chen, Luhua and Wei, Xueyuan},
doi = {10.1063/1.5050412},
issn = {21583226},
journal = {AIP Advances},
number = {10},
pages = {105202},
title = {{Structural stability of Pr-related defects in diamond and electronic structure single photon source: A first-principles study}},
volume = {8},
year = {2018}
}

@article{Zhong2019,
author = {Zhong, Tian and Goldner, Philippe},
doi = {10.1515/nanoph-2019-0185},
issn = {21928614},
journal = {Nanophotonics},
keywords = {coherent quantum material,hybrid quantum material,nanocrystals,nanophotonics,rare-earth ions},
number = {11},
pages = {2003--2015},
title = {{Emerging rare-earth doped material platforms for quantum nanophotonics}},
volume = {8},
year = {2019}
}

@article{Vanpoucke2019,
author = {Vanpoucke, Danny E.P. and Nicley, Shannon S. and Raymakers, Jorne and Maes, Wouter and Haenen, Ken},
doi = {10.1016/j.diamond.2019.02.024},
issn = {09259635},
journal = {Diam. Relat. Mater.},
keywords = {DFT,Defects,Density functional theory,Diamond,Doping,Electronic structure,Eu,Phonons,Photoluminescence},
number = {February},
pages = {233--241},
publisher = {Elsevier},
title = {{Can europium atoms form luminescent centres in diamond: A combined theoretical–experimental study}},
volume = {94},
year = {2019}
}

@article{Rembold2020,
author = {Rembold, Phila and Oshnik, Nimba and M{\"{u}}ller, Matthias M. and Montangero, Simone and Calarco, Tommaso and Neu, Elke},
doi = {10.1116/5.0006785},
eprint = {2004.12119},
issn = {26390213},
journal = {AVS Quantum Science},
number = {2},
publisher = {American Vacuum Society},
title = {{Introduction to quantum optimal control for quantum sensing with nitrogen-vacancy centers in diamond}},
volume = {2},
year = {2020}
}

@article{Tan2020Ce,
author = {Tan, Xin and Wei, Xueyuan and Chen, Luhua and Liu, Zhixin},
doi = {10.1364/ome.387462},
issn = {2159-3930},
journal = {Opt. Mater. Express},
number = {5},
pages = {1286},
title = {{Study of the structural stability and electronic structure of Ce-related defects in diamonds}},
volume = {10},
year = {2020}
}

@article{Tan2020Eu,
author = {Tan, Xin and Liu, Zhixin and Liu, Zhiyu and Ren, Yuan and Sun, Shiyang and JIa, Huiling},
doi = {10.1364/ome.410064},
issn = {2159-3930},
journal = {Opt. Mater. Express},
number = {12},
pages = {3277},
title = {{Principle study of the europium vacancy color center in a diamond}},
volume = {10},
year = {2020}
}



@article{Gulka2021,
author = {Gulka, Michal and Wirtitsch, Daniel and Iv{\'{a}}dy, Viktor and Vodnik, Jelle and Hruby, Jaroslav and Magchiels, Goele and Bourgeois, Emilie and Gali, Adam and Trupke, Michael and Nesladek, Milos},
doi = {10.1038/s41467-021-24494-x},
eprint = {2101.04769},
isbn = {4146702124494},
issn = {20411723},
journal = {Nat. Commun.},
number = {1},
pages = {1--8},
pmid = {34285223},
publisher = {Springer US},
title = {{Room-temperature control and electrical readout of individual nitrogen-vacancy nuclear spins}},
volume = {12},
year = {2021}
}


@article{Arrigoni2021,
archivePrefix = {arXiv},
arxivId = {2007.04033},
author = {Arrigoni, Marco and Madsen, Georg K.H.},
doi = {10.1016/j.cpc.2021.107946},
eprint = {2007.04033},
issn = {00104655},
journal = {Comput. Phys. Commun.},
keywords = {Charged defects,Density functional theory,First-principles,Point defects,Python,Thermodynamic stability},
pages = {107946},
publisher = {Elsevier B.V.},
title = {{Spinney: Post-processing of first-principles calculations of point defects in semiconductors with Python}},
volume = {264},
year = {2021}
}

@article{Palyanov2021,
author = {Palyanov, Yuri N. and Borzdov, Yuri M. and Khokhryakov, Alexander F. and Kupriyanov, Igor N.},
doi = {10.1016/j.carbon.2021.06.081},
issn = {00086223},
journal = {Carbon},
keywords = {Crystal morphology,Crystallization,Defects,Diamond,High-pressure,High-temperature,Photoluminescence,Rare-earth ions},
pages = {815--824},
publisher = {Elsevier Ltd},
title = {{High-pressure synthesis and characterization of diamond from europium containing systems}},
volume = {182},
year = {2021}
}

@article{Tan2021,
author = {Tan, Xin and Wang, Jian and Wei, Xueyuan and Pan, Chao and Ren, Yuan and Sun, Shiyang and Jia, Huiling},
doi = {10.1364/ome.431684},
issn = {2159-3930},
journal = {Opt. Mater. Express},
number = {10},
pages = {3421},
title = {{First-principle study on the influence of common impurities in diamond on the electronic structure of Ce-related defects}},
volume = {11},
year = {2021}
}

@article{Cajzl2022,
author = {Cajzl, Jakub and Nekvindov{\'{a}}, Pavla and Mackov{\'{a}}, Anna and Varga, Marian and Kromka, Alexander},
doi = {10.1039/d2cp01803a},
issn = {14639076},
journal = {Phys. Chem. Chem. Phys.},
number = {32},
pages = {19052--19072},
pmid = {35943086},
title = {{Erbium ion implantation into LiNbO3, Al2O3, ZnO and diamond - measurement and modelling - an overview}},
volume = {24},
year = {2022}
}


@article{Sedov2022,
author = {Sedov, Vadim and Kuznetsov, Sergei and Martyanov, Artem and Ralchenko, Victor},
doi = {10.1080/26941112.2022.2071112},
issn = {2694-1112},
journal = {Funct. diam.},
number = {1},
pages = {53--63},
publisher = {Taylor & Francis},
title = {{Luminescent diamond composites}},
url = {https://doi.org/10.1080/26941112.2022.2071112},
volume = {2},
year = {2022}
}

@article{Mzyk2022,
author = {Mzyk, Aldona and Ong, Yori and {Ortiz Moreno}, Ari R. and Padamati, Sandeep K. and Zhang, Yue and Reyes-San-Martin, Claudia A. and Schirhagl, Romana},
doi = {10.1021/acs.analchem.1c04536},
issn = {15206882},
journal = {Anal. Chem.},
number = {1},
pages = {225--249},
title = {{Diamond Color Centers in Diamonds for Chemical and Biochemical Analysis and Visualization}},
volume = {94},
year = {2022}
}

@article{Propst2023,
author = {Propst, D. and Kotakoski, J. and {\AA}hlgren, E. H.},
doi = {10.1088/2516-1075/acf9d3},
eprint = {2308.16141},
journal = {EST},
keywords = {diamond,dopant,electron microscopy,imaging,impurity,quantum center},
number = {3},
title = {{Impurity atom configurations in diamond and their visibility via scanning transmission electron microscopy imaging}},
volume = {5},
year = {2023}
}

@article{Babar2024,
author = {Babar, Dipak Gorakh and Nuwad, Jitendra and Agarwalla, Sandeep K. and Jain, Dheeraj and Sridhar, G. and Sudarsan, Vasanthakumaran},
doi = {10.1021/acsaom.4c00181},
issn = {27719855},
journal = {ACS Appl. Opt. Mater.},
keywords = {UCNPs,fluorescent PCD films,hysteresis in luminescence,photon values,surface functionalization,temperature sensor},
number = {8},
pages = {1546--1558},
title = {{Enhancing Luminescence Properties of Lab-Grown Diamond Films with Upconversion Nanoparticles for High-Performance Surface Temperature Sensing in Advanced Applications}},
volume = {2},
year = {2024}
}

@article{Balasa2024,
author = {Bala?a, Ionu? Gabriel and Arranz-Martinez, Mar{\'{i}}a Alejandra and Perrin, Pauline and {Ngandeu Ngambou}, Midrel and Hebbrecht, Alexandre and Serrano, Diana and Achard, Jocelyn and Tallaire, Alexandre and Goldner, Philippe},
doi = {10.1002/adom.202401487},
issn = {21951071},
journal = {Adv. Opt. Mater.},
keywords = {CVD,color centers,diamond,optical spectroscopy,quantum technology,rare earth,thin films},
pages = {1--10},
title = {{Rare Earth-Diamond Hybrid Structures for Optical Quantum Technologies}},
volume = {2401487},
year = {2024}
}

@article{Morris2024,
author = {Morris, Ian M. and Klink, Kai and Singh, Jaideep T. and Mendoza-Cortes, Jose L. and Nicley, Shannon S. and Becker, Jonas N.},
doi = {10.1098/rsta.2023.0169},
eprint = {2305.05781},
issn = {1364503X},
journal = {Phil. Trans. R. Soc. A},
keywords = {colour centres,diamond,electric dipole moment,quantum calculations,symmetry violations},
number = {2265},
pmid = {38043574},
title = {{Rare isotope-containing diamond colour centres for fundamental symmetry tests}},
volume = {382},
year = {2024}
}

@article{Wang2025,
author = {Wang, Zhen and Jin, Peng and Qu, Pengfei and Cao, Fanqiu and Han, Xu and Wang, Zhanguo},
doi = {10.1140/epjs/s11734-024-01458-y},
isbn = {0123456789},
issn = {1951-6401},
journal = {EPJ ST},
publisher = {Springer Berlin Heidelberg},
title = {{Progress in first-principles studies on doped semiconductor diamond}},
volume = {123},
year = {2025}
}

@article{Ghafari2025,
author = {{Ghafari Cherati}, Nima and Pershin, Anton and Gali, {\'{A}}d{\'{a}}m},
doi = {10.1103/PhysRevResearch.7.013278},
issn = {26431564},
journal = {Phys. Rev. Research},
keywords = {doi:10.1103/PhysRevResearch.7.013278 url:https://d},
number = {1},
pages = {13278},
publisher = {American Physical Society},
title = {{Sulfur in diamond and its effect on the creation of nitrogen-vacancy defect from ab initio simulations}},
volume = {7},
year = {2025}
}



@ARTICLE{1996ApJ...462..563N,
       author = {{Navarro}, Julio F. and {Frenk}, Carlos S. and {White}, Simon D.~M.},
        title = "{The Structure of Cold Dark Matter Halos}",
      journal = {\apj},
     keywords = {COSMOLOGY: THEORY, COSMOLOGY: DARK MATTER, GALAXIES: HALOS, METHODS: NUMERICAL, Astrophysics},
         year = 1996,
        month = may,
       volume = {462},
        pages = {563},
          doi = {10.1086/177173},
archivePrefix = {arXiv},
       eprint = {astro-ph/9508025},
 primaryClass = {astro-ph},
       adsurl = {https://ui.adsabs.harvard.edu/abs/1996ApJ...462..563N},
      adsnote = {Provided by the SAO/NASA Astrophysics Data System}
}

@ARTICLE{2003ApJS..148..175S,
       author = {{Spergel}, D.~N. and {Verde}, L. and {Peiris}, H.~V. and {Komatsu}, E. and {Nolta}, M.~R. and {Bennett}, C.~L. and {Halpern}, M. and {Hinshaw}, G. and {Jarosik}, N. and {Kogut}, A. and {Limon}, M. and {Meyer}, S.~S. and {Page}, L. and {Tucker}, G.~S. and {Weiland}, J.~L. and {Wollack}, E. and {Wright}, E.~L.},
        title = "{First-Year Wilkinson Microwave Anisotropy Probe (WMAP) Observations: Determination of Cosmological Parameters}",
      journal = {\apjs},
     keywords = {Cosmology: Cosmic Microwave Background, Cosmology: Cosmological Parameters- Cosmology: Observations, Cosmology: Early Universe, Astrophysics},
         year = 2003,
        month = sep,
       volume = {148},
       number = {1},
        pages = {175-194},
          doi = {10.1086/377226},
archivePrefix = {arXiv},
       eprint = {astro-ph/0302209},
 primaryClass = {astro-ph},
       adsurl = {https://ui.adsabs.harvard.edu/abs/2003ApJS..148..175S},
      adsnote = {Provided by the SAO/NASA Astrophysics Data System}
}


@misc{echelle,
	title = "{eShel echelle spectrograph User Guide}",
	author	= "{{Cochard}, F. and {Thizy}, O.}",
	organization	= {Shelyak Instruments},
	address	= "{Les Roussets 38420 Revel France}",
	year		= {2009},
	month		= {aug},
	howpublished 		= "\url{https://www.shelyak.com/wp-content/uploads/DC0009B-eShel-User-Guide.pdf}",
	 note = "{Accessed: 2022-06-01}"
}

@misc{jpconf,
  title = "{Preparing a paper using \LaTeXe\ for publication in Journal of Physics: Conference Series}",
  author = "{{Mucklow}, J. and {Jansson}, A.}",
  howpublished = "\url{https://publishingsupport.iopscience.iop.org/questions/templates-and-guidelines-for-proceedings-papers/}",
  year = {2022},
  note = "{Accessed: 2025-02-23}"
}

