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Objectives Tight binding (TB) parameterization of piezoresistive material SmSe

Quantum Transport in Piezoelectronic Transistor Zhengping Jiang, Yaohua Tan, Michael Povolotskyi, Tillmann Kubis, Gerhard Klimeck (Purdue) Marcelo A. Kuroda, Dennis M. Newns, Glenn J. Martyna (IBM) Timothy B. Boykin (UAH). Objectives

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Objectives Tight binding (TB) parameterization of piezoresistive material SmSe

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  1. Quantum Transport in Piezoelectronic Transistor Zhengping Jiang, Yaohua Tan, Michael Povolotskyi, Tillmann Kubis, Gerhard Klimeck (Purdue)Marcelo A. Kuroda, Dennis M. Newns, Glenn J. Martyna (IBM) Timothy B. Boykin (UAH) Objectives • Tight binding (TB) parameterization of piezoresistive material SmSe • Quantum transport in Piezoelectronic Transistor Methods • Generalized gradient approximation (GGA) with spin-orbit (SO) coupling • Hubbard-type on-site electron-electron repulsion U • Parameter mapping from DFT to ETB Result • ETB parameterization captures the Metal-Insulator Transition (MIT) with strain successfully Device design and bulk band structure Impacts • Capture electron behavior in strong-interaction system with existing TB model • TB parameterization of transition metal materials with localized f-electrons Bandgap modification due to strain

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