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The effect of strain on both electronic and structural characteristics of HfO2 used for sub-50-nm semiconductor devices was analyzed by a quantum chemical molecular dynamics analysis. The band structure of HfO2 is strongly affected by strain in the film. Based on the change rate of band gap obtained from our simulations, the strain sensitivity of the relative permittivity of HfO2 film is predicted...
In this study, the degradation mechanism of the interface integrity between a hafnium dioxide thin film and a gate electrode thin film was investigated by using quantum chemical molecular dynamics. Effect of point defects such as excessive oxygen and carbon interstitials in the hafnium dioxide films on the formation of the interfacial layer between them was analyzed quantitatively. Though the defect-induced...
This paper reports on a quantum chemical molecular dynamics analysis for HfO2 film with different amount of oxygen in order to make clear the effect of the strain and intrinsic defects in the film on the dielectric characteristic of the hafnium dioxide film. When an oxygen vacancy or a carbon atom as the impurity is introduced in HfO2 film, a donor site is formed locally around the vacancy or carbon...
The effect of strain and intrinsic defects on both electronic and structural characteristics of HfO2-x used for sub-100-nm semiconductor devices was analyzed by a quantum chemical molecular dynamics analysis. The magnitude of the band gap of HfO2 decreases by about 10% under the applied strain of 5%. The stable crystallographic structure of the monoclinic HfO2 changes to a cubic-like structure under...
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