Ab initio approach to structural, electronic and optical properties of B-, C- and N-doped anatase

International Journal of Modern Physics B

Volumn 24, Issue 31, 2010, Pages 6049-6067

  Zhukov, V P ^a   Zainullina, V M ^a   Chulkov, E V ^b,c,d  

^a INSTITUTE OF SOLID STATE CHEMISTRY   (Russian Federation)

^b DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^c UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^d CENTRO MIXTO CSIC UPV EHU   (Spain)

Author keywords

anatase; crystal lattice relaxation; dielectric function; doping; electronic band structure; optical absorption; Photocatalyses

Indexed keywords

EID: 79952329335     PISSN: 02179792     EISSN: None     Source Type: Journal    
DOI: 10.1142/S0217979210057572     Document Type: Article

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