Electronic states of intrinsic surface and bulk vacancies in FeS 2

Journal of Physics Condensed Matter

Volumn 25, Issue 4, 2013, Pages

  Krishnamoorthy, Aravind ^a,b   Herbert, F William ^a,b   Yip, Sidney ^b   Van Vliet, Krystyn J ^b   Yildiz, Bilge ^a,b  

^a MASSACHUSETTS INSTITUTE OF TECHNOLOGY   (United States)

^b Massachusetts Institute of Technology   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SITE; CHARGE STATE; CHARGED DEFECTS; DEFECT STATE; FORMATION ENERGIES; FREE SURFACES; INTRINSIC SURFACES; IRON SULFIDE PHASIS; MODERATE TEMPERATURE; N-TYPE CONDUCTIVITY; ORDERS OF MAGNITUDE; P-TYPE; PREDICTIVE CAPABILITIES; SURFACE VACANCIES; TUNNELING SPECTROSCOPY;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; ENERGY GAP; POINT DEFECTS; SCANNING TUNNELING MICROSCOPY; STOICHIOMETRY;

VACANCIES;

FERRIC ION; IRON; PYRITE; SULFIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER PROGRAM; CONFORMATION; CRYSTALLIZATION; ELECTRIC CONDUCTIVITY; ELECTRONICS; METHODOLOGY; PHYSICS; SPECTROSCOPY; STATISTICAL MODEL; SURFACE PROPERTY; TEMPERATURE;

CRYSTALLIZATION; ELECTRIC CONDUCTIVITY; ELECTRONICS; FERRIC COMPOUNDS; IRON; MODELS, CHEMICAL; MODELS, STATISTICAL; MOLECULAR CONFORMATION; PHYSICS; SOFTWARE; SPECTRUM ANALYSIS; SULFIDES; SURFACE PROPERTIES; TEMPERATURE;

MLCS; MLOWN;

EID: 84872089565     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/25/4/045004     Document Type: Article

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