Advanced DFT–NEGF Transport Techniques for Novel 2-D Material and Device Exploration Including HfS<sub>2</sub>/WSe<sub>2</sub> van der Waals Heterojunction TFET and WTe<sub>2</sub>/WS<sub>2</sub> Metal/Semiconductor Contact

نویسندگان

چکیده

We present, here, advanced DFT-NEGF techniques that we have implemented in our ATOmistic MOdelling Solver, ATOMOS, to explore transport novel materials and devices particular van-der-Waals heterojunction transistors. describe methodologies using plane-wave DFT, followed by a Wannierization step, linear combination of atomic orbital leads an orthogonal non-orthogonal NEGF model, respectively. then detail implementation including the Sancho-Rubio electron-phonon scattering within framework. also present methodology extract coupling from first principle include them simulations. Finally, apply methods towards exploration 2D devices. This includes material selection Dynamically-Doped FET for ultimately scaled MOSFETS, vdW TFETs, HfS2/WSe2 TFET could achieve high on-current levels, study Schottky-barrier height through metal-semiconducting WTe2/WS2 VDW junction transistor.

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ژورنال

عنوان ژورنال: IEEE Transactions on Electron Devices

سال: 2021

ISSN: ['0018-9383', '1557-9646']

DOI: https://doi.org/10.1109/ted.2021.3078412