Теоретическое исследование структуры и колебательных спектров сверхрешеток Si/SiO-=SUB=-2-=/SUB=-

Abstract

Structure, phonon states and vibrational spectra of binary Si/SiO2 superlattices (SL) formed by junction of crystalline silicon and β-cristobalite are investigated with the use of ab-initio quantum-mechanical computational methods. Several stable SL structures with ultra-narrow interfaces consisted of only one monolayer of Si2+ atoms are found. For these SLs, we have simulated the infrared and Raman spectra in which some characteristic spectral features are detected