Band offsets of ultrathin high-κoxide films with Si

Calculated structural and electronic interactions of the nano dye molecule Ru(4, 4′ – COOH – 2, 2′ – bpy) 2 (NCS) 2 (N3) with a iodide/triiodide redox shuttle

“…The HOMO-LUMO gap of N3 was found to be 0.64 eV (0.61 eV) within pseudo-poetntial (full-potential) method, which is significantly lower than the experimental gap of about 1.67 eV [20]. This difference reflects the main deficiency of LDA/GGA functionals for prediction of the excited states properties.…”

BOEMDET-Band Offsets and Effective Mass Determination Technique utilizing Fowler-Nordheim tunneling slope constants in MIS devices on silicon

“…Further, the photoemission bandgap measurement of 8.9±0.1 eV was utilized to determine the hole effective mass in the SiO 2 of 0.58m [6,7]. However, the presently determined values can be compared to the soft X-ray photoemission measurement results of band offsets and band gap of SiO 2 [14]. It can be observed from Table II to be nearly the same.…”

“…The electron and hole effective masses in the different high-K oxides grown by the atomic layer deposition (ALD) method, and which are viable for the future MOS technology are also calculated and presented in Table II below. These values are based on the photoemission spectroscopic measurements presented in reference [14]. …”

“…It has been observed from a recent report of soft X-ray photoemission experiments on 2nm dry thermal SiO 2 [14], that the conduction and valence band offsets from the intrinsic silicon Fermi level are 3.8 eV and 5.1 eV respectively, and the bandgap of SiO 2 is 8.9 eV with the error of ±0.1 eV. Taking the ratios of these nominal values as 3.8/8.9 and 5.1/8.9 gives the electron and hole effective masses in the SiO 2 of 0.427m and 0.573m respectively.…”

“…The high-K oxides [1, 2,14] found viable for the future MOS technology shows Frenkel-Poole conduction at medium oxide fields of 5-7 MV/cm due to presence of bulk traps and Fowler-Nordheim conduction at high oxide fields greater than 8 MV/cm [8,9]. Presently, the high-K oxides are grown by a wide variety of processing techniques such as e-beam evaporation, jet vapor deposition, atomic layer deposition, ionbeam sputtering, pulsed-laser deposition etc., and these oxides may exhibit varied conduction mechanisms before and after annealing.…”