Density functional theory simulations of amorphous high-κ oxides on a compound semiconductor alloy: A-Al 2O 3InGaAs(100)-(42), a-HfO 2InGaAs(100)-(42), and a-ZrO 2InGaAs(100)-(42)

Journal of Chemical Physics

Volumn 135, Issue 24, 2011, Pages

  Chagarov, Evgueni A ^a   Kummel, Andrew C ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AS INTERFACES; BAND EDGE; BAND GAPS; BOND-BREAKING; BONDED SEMICONDUCTORS; CLEAN SURFACES; COMPOUND SEMICONDUCTORS; DENSITY FUNCTIONAL THEORY SIMULATIONS; MOLECULAR DYNAMICS SIMULATIONS; PASSIVE INTERFACES; SHORT TIME SCALE;

ALUMINUM; ATOMS; DANGLING BONDS; HAFNIUM OXIDES; MOLECULAR DYNAMICS; SEMICONDUCTING INDIUM; ZIRCONIUM ALLOYS;

DENSITY FUNCTIONAL THEORY;

EID: 84855261518     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3657439     Document Type: Article

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