Accurate Prediction of Defect Properties in Density Functional Supercell Calculations

Alex Zunger

doi:10.1088/0965-0393/17/8/084002

Accurate Prediction of Defect Properties in Density Functional Supercell Calculations

Alex Zunger

Chemistry and Nanoscience

National Renewable Energy Laboratory

Research output: Contribution to journal › Article › peer-review

Original language	American English
Number of pages	14
Journal	Modelling and Simulation in Materials Science and Engineering
Volume	17
Issue number	8
DOIs	https://doi.org/10.1088/0965-0393/17/8/084002
State	Published - 2009

NLR Publication Number

NREL/JA-590-46943

Keywords

basic sciences
materials science

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10.1088/0965-0393/17/8/084002

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title = "Accurate Prediction of Defect Properties in Density Functional Supercell Calculations",

keywords = "basic sciences, materials science",

author = "Alex Zunger",

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T1 - Accurate Prediction of Defect Properties in Density Functional Supercell Calculations

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KW - materials science

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U2 - 10.1088/0965-0393/17/8/084002

DO - 10.1088/0965-0393/17/8/084002

M3 - Article

SN - 0965-0393

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IS - 8

ER -

Accurate Prediction of Defect Properties in Density Functional Supercell Calculations

NLR Publication Number

Keywords

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