First-principles study of TiN/SiC/TiN interfaces in superhard nanocomposites

Heterostructures with one monolayer of interfacial SiC inserted between several B1(NaCl)-TiN (001) and (111) slabs are investigated in the temperature range of 0-1400 K using first-principles quantum molecular dynamics (QMD) calculations. The temperature-dependent QMD calculations in combination wit...

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Veröffentlicht in:	Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2012-07, Vol.86 (1), Article 014110
Hauptverfasser:	Ivashchenko, V. I., Veprek, S., Turchi, P. E. A., Shevchenko, V. I.
Format:	Artikel
Sprache:	eng
Schlagworte:	Activation Condensed matter Heterostructures Mathematical analysis Reconstruction Silicon Silicon carbide Tin
Online-Zugang:	Volltext
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