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Greens-matrix calculation of total energies of point defects in silicon
P. J. Kelly,
Roberto Car
Chemistry
Physics
Princeton Institute for Computational Science and Engineering
Princeton Materials Institute
Research output
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Article
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peer-review
66
Scopus citations
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Dive into the research topics of 'Greens-matrix calculation of total energies of point defects in silicon'. Together they form a unique fingerprint.
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Keyphrases
Green's Matrix
100%
Defects in Silicon
100%
Silicon Lattice
100%
Defect Clusters
25%
Negative-U
25%
Breathing Relaxation
25%
Gaussian-type Orbitals
25%
Engineering
Energy Engineering
100%
Defects
100%
Formation Energy
50%
Interstitial Oxygen
25%
Good Agreement
12%
Gaussians
12%
Fermi Level
12%
Experimental Value
12%
Breathing
12%
Charge State
12%
Energy Difference
12%
Matrix Method
12%
Chemistry
Silicon
100%
Crystal Point Defect
100%
Relaxation
25%
Electronic State
25%
Crystalline Material
12%
Fermi Level
12%
Gaussian Distribution
12%
Material Science
Silicon
100%
Point Defect
100%
Electronic Structure
25%
Crystal
12%