Electrical degradation in high-k dielectrics based devices: A computational study

建议编号：0700172建议标题：基于高-k电介质的器件中的电退化：计算研究PI名称：Ramprasad，Ramamurthy PI研究所：康涅狄格大学这项研究的目的是从根本上了解物理退化，从而了解包含高介电常数(High-k)材料的下一代微电子器件的电特性，例如(HfO2)x(SiO_2)y。该方法基于涉及密度泛函理论和动力学蒙特卡罗模拟的多尺度计算策略。温度和电场辅助下的Pt-(HfO2)x(SiO_2)y-Si栅堆栈的原子级物理结构的变化和界面附近点缺陷的动力学将与界面上的缺陷态和能带边缘位置等电学性质相关联。共格和无序(HfO2)x(SiO_2)y-Si和(HfO_2)x(SiO_2)y-Pt界面，以及具有不同成分(x和Amp；y值)的晶态和非晶态(HfO_2)x(SiO_2)y将被明确考虑。智力价值：这项研究解决了一个重要的技术问题，而且是及时的。要考虑的接口、缺陷和组成的多样性将为下一代微电子设备的计算指导设计和优化提供必要的全面理解。与工业界实验者的密切合作将有助于验证计算和技术转让。更广泛的影响：PI的工业经验将通过与行业的互动，扩大学生在学术环境之外的接触，从而加强对学生的工程教育。PI将继续改进和教授计算材料与器件科学课程，该课程正在填补康涅狄格州大学工程系、物理系和化学系当前课程的空白。将与当地公共图书馆和高中合作开展外联活动，以提高公众对纳米技术的认识。

ABSTRACTProposal Number: 0700172Proposal Title: Electrical degradation in high-k dielectrics based devices: A computational studyPI Name: Ramprasad, RamamurthyPI Institution: University of ConnecticutThe objective of this research is to obtain a fundamental understanding of the degradation of the physical, and consequently, the electrical properties of next-generation microelectronic devices containing high dielectric constant (high-k) materials such as (HfO2)x(SiO2)y. The approach is based on a multi-scale computational strategy involving density functional theory and kinetic Monte Carlo simulations. Temperature and electric field-assisted changes in the atomic-level physical structure of Pt-(HfO2)x(SiO2)y-Si gate-stacks and the dynamics of point defects close to interfaces will be correlated to electrical properties such as defect states and band edge positions across interfaces. Coherent and disordered (HfO2)x(SiO2)y-Si and (HfO2)x(SiO2)y-Pt interfaces, and crystalline and amorphous (HfO2)x(SiO2)y with different compositions (x & y values) will be explicitly considered. Intellectual Merit: This research addresses a technologically important problem, and is timely. The variety of interfaces, defects and compositions to be considered will provide a comprehensive understanding necessary for a computation-guided design and optimization of next-generation microelectronic devices. Strong collaborations with experimentalists in industry will assist with the validation of the computations, and technology transfer. Broader Impact: The industrial experience of the PI will enhance the engineering education of students by broadening student exposure beyond the academic environment through interactions with industry. The PI will continue to refine and teach a Computational Materials & Device Science course, which is filling a gap in the current curricula of the Engineering, Physics and Chemistry departments at UConn. Outreach activities will be fostered in collaboration with local public libraries and high schools to increase public awareness in Nanotechnology.