2015, Volume 1, Issue 3
Engineering >> 2015, Volume 1, Issue 3 doi: 10.15302/J-ENG-2015052
Materials Design on the Origin of Gap States in a High-κ/GaAs Interface
1 Department of Materials Science and Engineering, The University of Texas at Dallas, Richardson, TX 75080, USA
2 College of Electronic Information and Optical Engineering, Nankai University, Tianjin 300071, China
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Abstract
Given the demand for constantly scaling microelectronic devices to ever smaller dimensions, a SiO2 gate dielectric was substituted with a higher dielectric-constant material, Hf(Zr)O2, in order to minimize current leakage through dielectric thin film. However, upon interfacing with high dielectric constant (high-κ) dielectrics, the electron mobility in the conventional Si channel degrades due to Coulomb scattering, surface-roughness scattering, remote-phonon scattering, and dielectric-charge trapping. III-V and Ge are two promising candidates with superior mobility over Si. Nevertheless, Hf(Zr)O2/III-V(Ge) has much more complicated interface bonding than Si-based interfaces. Successful fabrication of a high-quality device critically depends on understanding and engineering the bonding configurations at Hf(Zr)O2/III-V(Ge) interfaces for the optimal design of device interfaces. Thus, an accurate atomic insight into the interface bonding and mechanism of interface gap states formation becomes essential. Here, we utilize first-principle calculations to investigate the interface between HfO2 and GaAs. Our study shows that As−As dimer bonding, Ga partial oxidation (between 3+ and 1+) and Ga− dangling bonds constitute the major contributions to gap states. These findings provide insightful guidance for optimum interface passivation.
Keywords
high-mobility device ; high-&kappa ; /III-V interface ; interfacial gap states ; first-principle calculations
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