A first-principles modeling approach is used to investigate the vibrational properties of HfO2. The calculated phonon density of states is compared to experimental results obtained from inelastic electron tunneling spectroscopy (IETS) of various metal-oxide-semiconductor devices with HfO2gate stacks. This comparison provides deep insights into the nature of the signatures of the complicated IETS spectra and provides valuable structural information about the gate stack, such as the possible presence of oxygen vacancies in jet-vapour deposited HfO2. Important structural differences between the interface of atomic-layer or molecular-beam deposited HfO2and the Si substrate are also revealed. © 2011 American Institute of Physics.
Scalise, E., Houssa, M., Pourtois, G., Afanas'Ev, V., Stesmans, A. (2011). Inelastic electron tunneling spectroscopy of HfO 2 gate stacks: A study based on first-principles modeling. APPLIED PHYSICS LETTERS, 99(13), 132101 [10.1063/1.3644158].
Inelastic electron tunneling spectroscopy of HfO 2 gate stacks: A study based on first-principles modeling
Scalise E.;
2011
Abstract
A first-principles modeling approach is used to investigate the vibrational properties of HfO2. The calculated phonon density of states is compared to experimental results obtained from inelastic electron tunneling spectroscopy (IETS) of various metal-oxide-semiconductor devices with HfO2gate stacks. This comparison provides deep insights into the nature of the signatures of the complicated IETS spectra and provides valuable structural information about the gate stack, such as the possible presence of oxygen vacancies in jet-vapour deposited HfO2. Important structural differences between the interface of atomic-layer or molecular-beam deposited HfO2and the Si substrate are also revealed. © 2011 American Institute of Physics.
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