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25 Apr 2011

Volume 98, Issue 17, Articles (17xxxx)

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Appl. Phys. Lett. 98, 171102 (2011); http://dx.doi.org/10.1063/1.3582035 (3 pages)

Shigeru Nakayama, Satomi Ishida, Satoshi Iwamoto, and Yasuhiko Arakawa
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Electronic and structural properties of the oxygen vacancy in BaTiO3

Minseok Choi, Fumiyasu Oba, and Isao Tanaka

Appl. Phys. Lett. 98, 172901 (2011); http://dx.doi.org/10.1063/1.3583460 (3 pages) | Cited 5 times

Online Publication Date: 26 April 2011

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The electronic and structural properties of the oxygen vacancy (VO) in cubic BaTiO3 are studied using first-principles calculations based on a hybrid Hartree–Fock density functional approach. Our calculations identify the double shallow donor behavior of VO, indicating its contribution to the n-type conductivity. In addition, a metastable configuration is found, which shows an off-symmetric atomic structure around VO in conjunction with deep localized electronic states in the band gap. Based on the identified characteristics of VO, the previous experimental and theoretical findings are explained.
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61.72.jd Vacancies
71.15.Mb Density functional theory, local density approximation, gradient and other corrections
71.15.Ap Basis sets (LCAO, plane-wave, APW, etc.) and related methodology (scattering methods, ASA, linearized methods, etc.)

Impact of ultrathin Al2O3 diffusion barriers on defects in high-k LaLuO3 on Si

S. Shen, Y. Liu, R. G. Gordon, and L. J. Brillson

Appl. Phys. Lett. 98, 172902 (2011); http://dx.doi.org/10.1063/1.3583462 (3 pages) | Cited 3 times

Online Publication Date: 27 April 2011

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We used depth-resolved cathodoluminescence spectroscopy (DRCLS) to measure trap energies and relative densities in metal/high-κ dielectric LaLuO3/Si stacks, defects produced by LaLuO3–Si interdiffusion, and suppression of these defects by monolayer-thick Al2O3 interlayers. DRCLS reveals deep levels at 3.8, 4.2, and 4.7 eV above the valence band, consistent with LaLuO3 oxygen vacancies predicted by theory and a 5.5 eV band gap. Oxygen annealing produces LaLuO3/Si interdiffusion that increases 3.8 eV defect density and which a 0.4 nm Al2O3 completely removes. Transmission electron microscopy and current leakage results shows that Al2O3 prevent LaLuO3/Si silicate layer formation and dramatically lower defects with oxygen annealing.
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79.20.Rf Atomic, molecular, and ion beam impact and interactions with surfaces
78.60.Hk Cathodoluminescence, ionoluminescence
61.72.jd Vacancies
61.72.Cc Kinetics of defect formation and annealing
68.35.Fx Diffusion; interface formation

Nanometer scale study of HfO2 trap states using single electron tunneling force spectroscopy

D. W. Winslow, J. P. Johnson, and C. C. Williams

Appl. Phys. Lett. 98, 172903 (2011); http://dx.doi.org/10.1063/1.3580767 (3 pages) | Cited 1 time

Online Publication Date: 27 April 2011

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Standard methods to characterize trap states in dielectric films typically provide spatially averaged measurements. The development of single electron tunneling force spectroscopy has provided for the measurement of the energy of single trap states with atomic scale spatial resolution. In this letter, data taken on HfO2 films using this method is presented and discussed. Analysis of individual spectra shows that there is spatial variation in the density of trap states in these films. The spectra found by averaging data obtained from forty different locations shows good agreement with data taken via standard methods and with theoretical predictions.
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71.55.Ht Other nonmetals
77.55.-g Dielectric thin films
73.40.Gk Tunneling
71.20.Ps Other inorganic compounds
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