Molecular orbital theory examination into improved gate oxide integrity through the incorporation of nitrogen and fluorine
| Autor: | Takuya Maruizumi, Jiro Ushio, Masanobu Miyao |
|---|---|
| Rok vydání: | 1999 |
| Předmět: |
MOPAC
Oxide chemistry.chemical_element Molecular orbital theory Condensed Matter Physics Bond-dissociation energy Electronic Optical and Magnetic Materials chemistry.chemical_compound Chemical bond chemistry Gate oxide Computational chemistry Materials Chemistry Ceramics and Composites Fluorine Physical chemistry Molecular orbital |
| Zdroj: | Journal of Non-Crystalline Solids. 246:73-82 |
| ISSN: | 0022-3093 |
| Popis: | Molecular orbital theory was used to examine the improved gate oxide integrity of MOS (metal-oxide-semiconductor) devices against hot-hole injection; this improvement is associated with the incorporation of a nitrogen atom and subsequent incorporation of a fluorine atom. The bond dissociation energies of eight cluster models containing representative chemical bond environments in a modified oxide film – –Si–O–Si–, N(–Si–O–)– 3 , Si–N(–Si)–O–Si, Si–N(–O–Si) 2 , Si–N(–Si)–H, Si–F, Si–O–F, Si–N(–Si)–F – were extensively evaluated for both the neutral state and the hole-trapped state since the bond dissociation energy change is thought to be a relevant measure of bond durability against hot holes. A semiempirical molecular orbital program package, MOPAC, was used because of its short computational time. The applicability of MOPAC to the hole-trapped state was confirmed by comparing the MOPAC results with those obtained by first-principle calculations. The calculated changes in bond dissociation energy upon hole trapping imply that the improvement stems from the chemical bond formation of a silicon–nitride-like structure, N(–Si–O–)– 3 , in oxide bulk, and a Si–F structure in the Si/SiO 2 interfacial region. The synergetic effect of nitrogen and fluorine incorporation is most likely brought about by the formation of a Si 2 N–F structure in both the oxide and the interfacial region. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|
Full Text from ScienceDirect