Mo, S.-D. ; Ouyang, L. ; Ching, W. Y. ; Tanaka, I. ; Koyama, Y. ; Riedel, R. (1999)
Interesting physical properties of the new spinel phase of Si3N4 and C3N4.
In: Physical review letters, 83 (24)
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
The physical properties of the new high-pressure spinel phase of Si3N4 and C3N4 were studied by first-principles calculations. The presence of Si at the octahedral site and the elongated Si-N bonds under pressure have a profound effect on many properties of Si3N4 including lowering the compressibility, decreasing the direct band gap and effective mass, increasing the static dielectric constants, and enhancing covalent bonding. The last effect is explained by calculating the bond order and number of bonds. Possible routes of synthesis at lower pressure and potential applications are suggested.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 1999 |
| Autor(en): | Mo, S.-D. ; Ouyang, L. ; Ching, W. Y. ; Tanaka, I. ; Koyama, Y. ; Riedel, R. |
| Art des Eintrags: | Bibliographie |
| Titel: | Interesting physical properties of the new spinel phase of Si3N4 and C3N4 |
| Sprache: | Englisch |
| Publikationsjahr: | 13 Dezember 1999 |
| Verlag: | APS |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Physical review letters |
| Jahrgang/Volume einer Zeitschrift: | 83 |
| (Heft-)Nummer: | 24 |
| Kurzbeschreibung (Abstract): | The physical properties of the new high-pressure spinel phase of Si3N4 and C3N4 were studied by first-principles calculations. The presence of Si at the octahedral site and the elongated Si-N bonds under pressure have a profound effect on many properties of Si3N4 including lowering the compressibility, decreasing the direct band gap and effective mass, increasing the static dielectric constants, and enhancing covalent bonding. The last effect is explained by calculating the bond order and number of bonds. Possible routes of synthesis at lower pressure and potential applications are suggested. |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Disperse Feststoffe |
| Hinterlegungsdatum: | 19 Nov 2008 16:21 |
| Letzte Änderung: | 20 Feb 2020 13:28 |
| PPN: | |
| Sponsoren: | Work at UMKC is supported by the Department of Energy under Grant No. DE-FG02-84ER45170. I. T. is supported by the ACT program of JST., R. R. is supported by DFG under Contract No. Ri 510/14-1 and also the Fonds der Chemischen Industrie, Frankfurt, Germany. |
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