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Materials Design on the Origin of Gap States in a High-κ/GaAs Interface

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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, remotephonon 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 firstprinciple 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.

high-mobility devicehigh-κ/Ⅲ-Ⅴ interfaceinterfacial gap statesfirst-principle calculations

Weichao Wang、Cheng Gong、Ka Xiong、Santosh K.C.、Robert M.Wallace、Kyeongjae Cho

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Department of Materials Science and Engineering,The University of Texas at Dallas,Richardson,TX 75080,USA

College of Electronic Information and Optical Engineering,Nankai University,Tianjin 300071,China

National Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaNational Natural Science Foundation of ChinaTianjin Natural Science FoundationTianjin Natural Science FoundationNational Basic Research Program of China (973 Program)Specialized Research Fund for the Doctoral Program of Higher EducationFundamental Research Funds for the Central Universities

11304161111041485117108213JCYBJC4110014JCZDJC377002014CB93170320110031110034

2015

10.15302/J-ENG-2015052

工程科学(英文版)
中国工程院出版委员会

工程科学(英文版)

影响因子：0.226
ISSN：1672-4178
年,卷(期)：2015.1(3)
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