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Significant progress has been made recently in the automation and standardization of ab initio point defect calculations.
“Self-consistent equations including exchange and correlation effects”
W. Kohn and L.. Sham · 1965
Earlier work this paper cites.
“Temperature dependence of the band gap of silicon”
W. Bludau, A. Onton and W. Heinke · 1974
Earlier work this paper cites.
“Negative-U properties for point defects in silicon”
G.. Watkins and J.. Troxell · 1980
Earlier work this paper cites.
“Additional structure in infrared excitation spectra of group-III acceptors in silicon”
David. Fischer and John. Rome · 1983
Earlier work this paper cites.
“Additional structure in infrared excitation spectra of group-III acceptors in silicon”
David. Fischer and John. Rome · 1983
Earlier work this paper cites.
“Negative-U properties for defects in solids”
George. Watkins · 1984
Earlier work this paper cites.
“Chalcogen Double Donors in Silicon”
Gerhard Pensl, G. Roos, C. Holm and P. Wagner · 1986
Earlier work this paper cites.
“Point defects and dopant diffusion in silicon”
P.. Fahey, P.. Griffin and J.. Plummer · 1989
Earlier work this paper cites.
“Ab initio molecular dynamics for liquid metals”
G. Kresse and J. Hafner · 1993
Earlier work this paper cites.
“Ab initio molecular dynamics for liquid metals”
G. Kresse and J. Hafner · 1993
Earlier work this paper cites.
“Projector augmented-wave method”
P.. Blochl · 1994
Earlier work this paper cites.
“Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium”
G. Kresse and J. Hafner · 1994
Earlier work this paper cites.
“Projector augmented-wave method”
P.. Blochl · 1994
Earlier work this paper cites.
“Ab initio molecular-dynamics simulation of the liquid-metal-amorphous-semiconductor transition in germanium”
G. Kresse and J. Hafner · 1994
Earlier work this paper cites.
“Metal Impurities in Silicon-Device Fabrication”
Klaus Graff · 1995
Earlier work this paper cites.
“Native defects in gallium nitride”
P. Bogusawski, E.. Briggs and J. Bernholc · 1995
Earlier work this paper cites.
“Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set”
G. Kresse and J. Furthmüller · 1996
Earlier work this paper cites.
“Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set”
G. Kresse and J. Furthm“”uller · 1996
Earlier work this paper cites.
“Generalized Gradient Approximation Made Simple”
John. Perdew, Kieron Burke and Matthias Ernzerhof · 1996
Earlier work this paper cites.
“Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set”
G. Kresse and J. Furthmüller · 1996
Earlier work this paper cites.
“Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set”
G. Kresse and J. Furthm“”uller · 1996
Earlier work this paper cites.
“Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)]”
John. Perdew, Kieron Burke and Matthias Ernzerhof · 1997
Cited alongside, same era.
“OpenMP: An Industry-Standard API for Shared-Memory Programming”
Leonardo Dagum and Ramesh Menon · 1998
Cited alongside, same era.
“Copper–hydrogen complexes in silicon”
S Knack, J Weber and H Lemke · 1999
Cited alongside, same era.
“From ultrasoft pseudopotentials to the projector augmented-wave method”
G. Kresse and D. Joubert · 1999
Cited alongside, same era.
“From ultrasoft pseudopotentials to the projector augmented-wave method”
G. Kresse and D. Joubert · 1999
Cited alongside, same era.
“Intrinsic n-type versus p-type doping asymmetry and the defect physics of ZnO”
S.. Zhang, S.-H. Wei and Alex Zunger · 2001
Cited alongside, same era.
“Accurate defect levels obtained from the HSE06 range-separated hybrid functional”
Peter De“’ak et al · 2010
Later among the works it cites.
“Comparison between various finite-size supercell correction schemes for charged defect calculations”
Hannu Komsa, Tapio Rantala and Alfredo Pasquarello · 2011
Later among the works it cites.
“Assessing the accuracy of hybrid functionals in the determination of defect levels: Application to the As antisite in GaAs”
Hannu-Pekka Komsa and Alfredo Pasquarello · 2011
Later among the works it cites.
“Defect levels through hybrid density functionals: Insights and applications”
Audrius Alkauskas, Peter Broqvist and Alfredo Pasquarello · 2011
Later among the works it cites.
“Python Materials Genomics (pymatgen): A robust, open-source python library for materials analysis”
Shyue Ong et al · 2012
Later among the works it cites.
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“Hybrid functionals based on a screened Coulomb potential”
Jochen Heyd, Gustavo. Scuseria and Matthias Ernzerhof · 2003
Cited alongside, same era.
“Sulfur point defects in crystalline and amorphous silicon”
Yina Mo, Martin. Bazant and Efthimios Kaxiras · 2004
Cited alongside, same era.
“ n n -type doping of CuInSe 2 \mathrm{CuIn}{\mathrm{Se}}_{2} and CuGaSe 2 \mathrm{CuGa}{\mathrm{Se}}_{2} ”
Clas Persson, Yu-Jun Zhao, Stephan Lany and Alex Zunger · 2005
Cited alongside, same era.
“Oxygen vacancies in ZnO”
Anderson Janotti and Chris. Van Walle · 2005
Cited alongside, same era.
“Comparison of screened hybrid density functional theory to diffusion Monte Carlo in calculations of total energies of silicon phases and defects”
Enrique. Batista et al · 2006
Cited alongside, same era.
“Influence of the exchange screening parameter on the performance of screened hybrid functionals”
Aliaksandr. Krukau, Oleg. Vydrov, Artur. Izmaylov and Gustavo. Scuseria · 2006
Cited alongside, same era.
“Formation and migration energies of the vacancy in Si calculated using the HSE06 range-separated hybrid functional”
Piotr “’Spiewak and Krzysztof. Kurzydowski · 2013
Later among the works it cites.
“Deep levels of copper-hydrogen complexes in silicon”
Nikolai Yarykin and J“”org Weber · 2013
Later among the works it cites.
“The Materials Project: A materials genome approach to accelerating materials innovation”
Anubhav Jain et al · 2013
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“Formation and migration energies of the vacancy in Si calculated using the HSE06 range-separated hybrid functional”
Piotr “’Spiewak and Krzysztof. Kurzydowski · 2013
Later among the works it cites.
“First-principles calculations for point defects in solids”
Christoph Freysoldt et al · 2014
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“Electrostatics-based finite-size corrections for first-principles point defect calculations”
Yu Kumagai and Fumiyasu Oba · 2014
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“A computational framework for automation of point defect calculations”
Anuj Goyal et al · 2016
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“Hybrid-functional calculations of the copper impurity in silicon”
Abhishek Sharan, Zhigang Gui and Anderson Janotti · 2017
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“SymPy: symbolic computing in Python”
Aaron Meurer et al · 2017
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“SymPy: symbolic computing in Python”
Aaron Meurer et al · 2017
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“Hybrid-functional calculations of the copper impurity in silicon”
Abhishek Sharan, Zhigang Gui and Anderson Janotti · 2017
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“PyCDT: A Python toolkit for modeling point defects in semiconductors and insulators”
Danny Broberg et al · 2018
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“CoFFEE: Corrections For Formation Energy and Eigenvalues for charged defect simulations”
Mit. Naik and Manish Jain · 2018
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“Defect identification based on first-principles calculations for deep level transient spectroscopy”
Darshana Wickramaratne et al · 2018
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“Linewidths of the electronic excitation spectra of donors in silicon”
C. Jagannath, Z.. Grabowski and A.. Ramdas · 2082
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C. Jagannath, Z.. Grabowski and A.. Ramdas · 2082
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