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Trinity College Dublin

Modelling the Polaronic Nature of p-type Defects in Cu2O: the Failure of GGA and GGA+U

Title: 
Modelling the Polaronic Nature of p-type Defects in Cu2O: the Failure of GGA and GGA+U
Authors: 
D. O. Scanlon, B. J. Morgan, G. W. Watson
Journal: 
J. Chem. Phys.
Volume: 
131
Number: 
124703
year: 
2009
Status: 
published

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