Prof. Hong Guo: Computational electronics from atomic point of view (2011/06/29) |
| ( 2012-04-27 ) |
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题目 |
Computational electronics from atomic point of view |
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报告人 |
Prof. Hong Guo
Department of Physics,
McGill University, QC Canada
& ICQD, USTC, China |
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时间 |
2011年6月29日（星期三）上午10：00 |
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地点 |
微尺度国家实验室9004会议室 |
| 报告人简介 |
Guo Hong obtained B.Sc. degree in Physics from Sichuan Normal University in 1979. He attended University of Pittsburgh through the CUSPEA program and obtained a Ph.D degree in theoretical condensed matter physics in 1987. In 1987-1990, he was a postdoctoral fellow at Temple University, then at McGill University. Guo became Assistant Professor of Physics, McGill University in 1990, and was promoted to the full Professor rank in 1999. Since 2004 he has been named a James McGill Chair Professor of Physics. His research program includes topics of nonequilibrium phenomena, materials physics, mesoscopic physics, quantum transport theory, nanoelectronic device physics, strongly correlated transport phenomena, density functional theory, computational physics and applied mathematics. Guo has been elected a Fellow of the American Physical Society and a Fellow of the Royal Society of Canada. His research has received several Canadian national awards.
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报告摘要 |
In this talk, I shall discuss issues concerning computational modeling of quantum transport properties of nanoelectronics from the atomic point of view, within the framework of density functional theory (DFT) combined with the Keldysh non-equilibrium Green’s functions (NEGF). The goal is to make parameter-free predictions of material specific properties of nanoelectronic devices. The successes, problems and challenges of first principles nonequilibrium quantum transport will be discussed. I will present several recent progress we obtained including: (i) the theory and implementation of onequilibrium vertex correction (NVC) [1,2] for disorder configurational average at the nonequilibrium density matrix level, which is critical for analyzing discrete doping and impurity scattering in nano-devices; (ii) the modified Becke-Johnson semi-local exchange potential that reasonably determines band gaps[3,4] for variety of semiconductors; (iii) the implementation of electron-phonon coupling at the nonequilibrium density matrix level for analyzing inelastic tunneling; (iv) linear scaling methods for non-equilibrium quantum transport modeling where the density matrix does not typically have the desired locality property and, (v) several applications including quantum transport properties of the Bi2Se3 three-dimensional topological insulators [5].
[1] Youqi Ke, Ke Xia and Hong Guo, Phys. Rev. Lett. 100, 166805 (2008).
[2] Youqi Ke, Ke Xia and Hong Guo, Phys. Rev. Lett. 106, 156404 (2010).
[3] Fabien Tran and Peter Blaha, Phys. Rev. Lett. 102, 226401 (2009).
[4] Mathieu Cesar, Youqi Ke, Wei Ji, Hong Guo and Zetian Mi, Appl. Phys. Lett. 98, 202107 (2011).
[5] Yonghong Zhao, Yibin Hu, Eric Zhu, Lei Liu and Hong Guo, Nano. Lett. 11, 2088 (2011).
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