Atomistic Modeling of Ultra-Scaled III-V, Si/Ge, Graphene, and Single Impurity Devices

Gerhard Klimeck,

Network for Computational Nanotechnology, Purdue University

School of Electrical and Computer Engineering, West Lafayette, IN 47907

Email: gekco_at_purdue_edu

The scaling behavior of ultra-scaled InAs HEMTs is investigated using a 2-dimensional real-space effective mass ballistic quantum transport simulator. The simulation methodology is first benchmarked against experimental Id-Vgs data obtained from devices with gate lengths ranging from 30 to 50 nm, where a good quantitative match is obtained. It is then applied to optimize the logic performance of not-yet- fabricated 20nm InAs HEMT. Band-to-band tunneling transistors (TFETs) made of InSb, Carbon, and GaSb-InAs broken gap heterostructures are simulated using an atomistic and full-band quantum transport solver. The performances of two-dimensional single-gate and double-gate devices as well as three-dimensional gate-all-around structures are analyzed and compared to find the most promising TFET design. Single Impurity effects and devices are simulated with an atomistic representation as well. Calibration against experimental data has been obtained for systems with few impurities and dense impurity systems.

Finally the presentation will demonstrate some of the newly available simulation facilities on the nanoHUB that enable the simulation of some of these novel devices. The Network for Computational Nanotechnology (NCN) operates nanoHUB.org. The nanoHUB cyberinfrastructure delivers online simulation, courses, tutorials, services for collaboration, and more free of charge. NCN’s central outreach vehicle is the community web site nanoHUB.org. Over 137,000 users have utilized the nanoHUB in the past 12 months. The nanoHUB’s signature service is online simulation. The power of simulation is fully realized, when software leaves the domain of the computational experts and is released to users with real problems to solve. Over 8,700 users ran over 340,000 simulations on the nanoHUB in the past 12 months.

The work presented here has been prepared by research group members such as Mathieu Luisier, Neerav Kharche, Sung-Hyon Park, Hoon Ryu, Sunhee Lee, and Rajib Rahman and has been published with several collaborators such as Tim Boykin, Sven Rogge, Lloyd Hollenberg, and Michelle Simmons.

Gerhard Klimeck is the Director of the Network for Computational Nanotechnology at Purdue University and a Professor of Electrical and Computer Engineering. He guides the technical developments and strategies of nanoHUB.org. He was the Technical Group Supervisor of the High Performance Computing Group and a Principal Scientist at the NASA Jet Propulsion Laboratory, Caltech and a member of technical staff at the Central Research Lab of Texas Instruments where he served as manager and principal architect of the Nanoelectronic Modeling (NEMO 1-D) program. NEMO 1-D was the first quantitative simulation tool for resonant tunneling diodes and 1D heterostructures. At JPL and Purdue Gerhard developed the Nanoelectronic Modeling tool (NEMO 3-D) for multimillion atom simulations. At Purdue his group is developing a new simulation engine that combines the NEMO 1-D and NEMO 3-D capabilities into a new code entitled OMEN. Prof. Klimeck’s research interest is in the modeling of nanoelectronic devices, parallel cluster computing, and genetic algorithms. Dr. Klimeck received his Ph.D. in 1994 on Quantum Transport from Purdue University and his German electrical engineering degree in 1990 from Ruhr-University Bochum. Dr. Klimeck’s work is documented in over 130 peer-reviewed journal and 125 proceedings publications and over 130 invited and 280 contributed conference presentations.