IWCE 2015 presentation.
We investigate the applicability of density functional tight binding (DFTB) theory , coupled to non-equilibrium Green functions (NEGF), for atomistic simulations of ultra-scaled electron devices, using the DFTB+ code . In the context of ultra-thin silicon-on-insulator (SOI) transistors we adopt atomic models that include not only the Si channel, but also the interfacial SiO2, and look at the change of electronic, dielectric and transport properties as Si film thickness is reduced from 10 nm to less than 1 nm. We build on our previous reports , and draw a systematic comparison against a corresponding model that employs H-passivation of the channel, and against known experiment.
In collaboration with Y.H. Kwok*, B. Aradi+, G. Penazzi+, C.Y. Yam*, H. Xie*, A. Pecchia&, T. Frauenheim+ and G.H. Chen, *Department Chemistry, The University of Hong Kong, +BCCMS, The University of Bremen, Germany, &Department of Engineering, Univ. “Tor Vergata”, Rome, Italy
 [T. Frauenheim et al, J. Phys. Cond. Matt 14 3015 (2002).  M. Elstner et al, Phys. Rev. B 58 7260 (1998).  A. Pecchia et al, New J. Phys. 10 065022 (2008).  B. Aradi et al, J. Phys. Chem. A 111 5678 (2007) (www.dftb-plus.info).  S. Markov et al, Proc. SISPAD 65 (2014).  S. Markov et al, IEEE Trans. Elec. Dev. 62 696 (2015).
Cite this work
Researchers should cite this work as follows:
Markov, Stanislav, "Density Functional Tight Binding (DFTB) Modeling in the Context of Ultra-Thin Silicon-on-Insulator MOSFETs," in Computational Electronics (IWCE) 2015 International Workshop on, DOI: Not available in IEEE Xplore digital library. Full Website Here
North Ballroom, PMU, Purdue University, West Lafayette, IN