First-principles study on the effect of SiO2 layers during oxidation of 4H-SiC | Zendy

Tomoya Ono | Zendy; Shoichiro Saito | Zendy

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First-principles study on the effect of SiO2 layers during oxidation of 4H-SiC

Author(s) -

Tomoya Ono,

Shoichiro Saito

Publication year - 2015

Publication title -

applied physics letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.182

H-Index - 442

eISSN - 1077-3118

pISSN - 0003-6951

DOI - 10.1063/1.4913598

Subject(s) - thermal oxidation , materials science , molecule , lattice (music) , substrate (aquarium) , lattice constant , thermal , thermal expansion , chemical engineering , chemical physics , silicon , chemistry , optoelectronics , composite material , thermodynamics , organic chemistry , physics , oceanography , acoustics , diffraction , optics , geology , engineering

The effect of SiO2 layers during the thermal oxidation of a 4H-SiC(0001) substrate is examined by performing the first-principles total-energy calculations. Although it is expected that a CO molecule is the most preferable product during the oxidation, CO2 molecules are mainly emitted from the SiC surface at the initial stage of the oxidation. As the oxidation proceeds, CO2 emission becomes less favorable and CO molecules are emitted from the interface. We conclude that the interface stress due to the lattice constant mismatch between 4H-SiC(0001) and SiO2 is responsible for the removal of C during the oxidation, resulting in the characteristic electronic property of the interface fabricated by the thermal oxidation

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