Journal
APPLIED PHYSICS LETTERS
Volume 84, Issue 8, Pages 1353-1355Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1650547
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X-ray photoelectron spectroscopy combined with first-principles simulations are used to determine the band alignments of ZrO2 thin films on silicon. Theoretical band offsets were calculated by simulating the ZrO2/Si interface by means of plane-wave pseudopotential calculations. Experimental band offsets were determined by measuring the core-level to valence-band maximum binding energy differences. Excellent agreement was obtained between the theoretical (3.5-3.9 eV) and experimental (3.65 eV) valence band offsets. Both theoretical and experimental analyses predict the conduction band offset to be similar to0.6-1.0 eV which indicates the intrinsic limitation of ZrO2 to be considered as a viable alternative gate dielectric. (C) 2004 American Institute of Physics.
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