Defects in ion-implanted hcp-titanium: A first-principles study of electronic structures

Solid State Communications

Volumn 151, Issue 24, 2011, Pages 1889-1893

  Raji, Abdulrafiu T ^a,b   Mazzarello, Riccardo ^c   Scandolo, Sandro ^a,d   Nsengiyumva, Schadrack ^e   Hrting, Margit ^b   Britton, David T ^b  

^a ABDUS SALAM INTERNATIONAL CENTRE FOR THEORETICAL PHYSICS   (Italy)

^b UNIVERSITY OF CAPE TOWN   (South Africa)

^c RWTH AACHEN UNIVERSITY   (Germany)

^d DEMOCRITOS NATIONAL SIMULATION CENTER   (Italy)

^e RHODES UNIVERSITY   (South Africa)

Author keywords

A. Metals; C. Point defects; D. Electronic states

Indexed keywords

A. METALS; BULK ELECTRONS; C. POINT DEFECTS; CLOSED SHELL ATOMS; D. ELECTRONIC STATES; DEFECT SITES; DEFORMATION MAP; DENSITY OF STATE; DFT CALCULATION; ELECTRONIC DENSITY; ELECTRONIC STRUCTURE CALCULATIONS; FIRST PRINCIPLES METHOD; FIRST-PRINCIPLES STUDY; IMPURITY ATOMS; INSERTION SITE; INTERSTITIAL SITES; KRYPTON ATOMS; NEAREST-NEIGHBOUR; SITE PREFERENCES; TETRAHEDRAL SITES; TITANIUM ATOMS; TITANIUM CONTAINING; VACANCY DEFECTS;

ATOMS; CALCULATIONS; DEFECT DENSITY; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; POINT DEFECTS; POLARIZATION; STEEL METALLURGY; VACANCIES;

TITANIUM;

EID: 80655123164     PISSN: 00381098     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ssc.2011.09.029     Document Type: Article

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