Strain Dependence of Dielectric Properties and Reliability of High-k Thin Films
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 to about 2.4%/1%-strain. The predicted strain sensitivity was validated quantitatively by measuring the change of the capacitance of MOS capacitors using a HfO2 gate dielectric film. It is very important, therefore, to minimize the mechanical strain in the dielectric film to assure the reliability of MOS transistor.
Quantum chemical molecular dynamics analysis of the effect of oxygen vacancies and strain on dielectric characteristic of hfo2-x films
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 the strain. The magnitude of the band gap of the HfO2-x decreases drastically from 5.7 eV to about 1.0 eV due to the formation of an electronic state within the band gap when an oxygen vacancy is introduced to the perfect HfO2. In the HfO2-x film, oxygen atoms near the oxygen vacancy can move drastically at temperatures higher than 800 K. Therefore, it is very important to control the chemical composition of the hafnium oxide film and to optimize the annealing condition to maintain both the high reliability and performance of the gate oxide film
Investigations of dielectric gratings using electrodynamic models based on volume integral equations
Eigenmodes of planar and cylindrical dielectric gratings (DGs) and electromagnetic wave scattering from multiplayer DGs are investigated. The DG characteristics are calculated using numerical-analytical solution of integral equations (IEs).