Ab initio study of point defects in dielectrics based on Pr oxides

Materials Science in Semiconductor Processing

Volumn 9, Issue 6, 2006, Pages 897-903

  Dabrowski J ^a   Fleszar, A ^b   Lupina G ^a   Wenger, Ch ^a  

^a IHP   (Germany)

^b UNIVERSITY OF WÜRZBURG   (Germany)

Author keywords

Ab initio calculations; Band offset; Charge state; Chemical potential; Density functional theory; Formation energy; Interstitial; Leakage current; Oxidation state; Point defects; Praseodymium oxide; Silicate; Vacancy

Indexed keywords

BAND STRUCTURE; DIELECTRIC MATERIALS; ELECTRIC PROPERTIES; ELECTRONIC STRUCTURE; LEAKAGE CURRENTS; PRASEODYMIUM COMPOUNDS;

AB INITIO CALCULATIONS; CHEMICAL POTENTIALS; DENSITY FUNCTIONAL THEORY; FORMATION ENERGY; PRASEODYMIUM OXIDES;

POINT DEFECTS;

EID: 33846238024     PISSN: 13698001     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mssp.2006.10.049     Document Type: Article

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