TY - GEN
T1 - Multiscale-multiphysics modeling of nonclassical semiconductor devices
AU - Ahmed, Shaikh S.
AU - Rashid, Mohammad Z.
AU - Ai-Qahtani, Saad M.
AU - Abdullah, Abdulmuin M.
AU - Nishat, Rezaul Karim
AU - Khair, Khadija A.
AU - Wu, Ye
AU - Taher, Mayada M.
AU - Ai-Sibiani, Sameer
AU - Muntahi, Abdussamad A.
N1 - Publisher Copyright:
© 2016 IEEE.
PY - 2017/2/13
Y1 - 2017/2/13
N2 - This work describes our on-going efforts to develop a multiscale Quantum Atomistic Device Simulator (QuADS 3-D) where: a) material parameters are obtained atomistically using first-principles, b) structural relaxation and phonon dispersions are studied via molecular mechanics/dynamics, c) a variety of tight-binding models (s, Sp3S∗, sp3d5s∗) are used for the calculation of electronic band structure and interband transition rates, and d) coupled charge-phonon transport is simulated using a combined Monte Carlo-NEGF framework. The atom-by-atom simulation capability in QuADS 3-D exposes new degrees-of-freedom at nanoscale (such as engineering the stress, hybrid crystal cuts, composition, surface polarization, and electrostatics) and creates transformative design routes for boosting performance and reliability of novel nanoelectronic devices. Application of QuADS 3- D is demonstrated by four examples: 1) quantum and coulomb effects in nanoscale FETs; 2) correlation of structural modifications and reliability in AIGaN HEMTs; 3) effects of contact resistances in nanostructured thermoelectric coolers; and 4) efficiency droop in nanostructured III-N LEDs.
AB - This work describes our on-going efforts to develop a multiscale Quantum Atomistic Device Simulator (QuADS 3-D) where: a) material parameters are obtained atomistically using first-principles, b) structural relaxation and phonon dispersions are studied via molecular mechanics/dynamics, c) a variety of tight-binding models (s, Sp3S∗, sp3d5s∗) are used for the calculation of electronic band structure and interband transition rates, and d) coupled charge-phonon transport is simulated using a combined Monte Carlo-NEGF framework. The atom-by-atom simulation capability in QuADS 3-D exposes new degrees-of-freedom at nanoscale (such as engineering the stress, hybrid crystal cuts, composition, surface polarization, and electrostatics) and creates transformative design routes for boosting performance and reliability of novel nanoelectronic devices. Application of QuADS 3- D is demonstrated by four examples: 1) quantum and coulomb effects in nanoscale FETs; 2) correlation of structural modifications and reliability in AIGaN HEMTs; 3) effects of contact resistances in nanostructured thermoelectric coolers; and 4) efficiency droop in nanostructured III-N LEDs.
KW - Coupled transport
KW - Monte carlo
KW - Multiscale modeling
KW - Nanoscale devices
KW - Quads 3-D
KW - Tight-binding
UR - http://www.scopus.com/inward/record.url?scp=85016199885&partnerID=8YFLogxK
U2 - 10.1109/ICECE.2016.7853846
DO - 10.1109/ICECE.2016.7853846
M3 - Conference Proceeding
AN - SCOPUS:85016199885
T3 - Proceedings of 9th International Conference on Electrical and Computer Engineering, ICECE 2016
SP - 20
EP - 25
BT - Proceedings of 9th International Conference on Electrical and Computer Engineering, ICECE 2016
PB - Institute of Electrical and Electronics Engineers Inc.
T2 - 9th International Conference on Electrical and Computer Engineering, ICECE 2016
Y2 - 20 December 2016 through 22 December 2016
ER -