Comprehensive comparison and experimental validation of band-structure calculation methods in III-V semiconductor quantum wells

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• 作者：George Zerveas^a ; ^{gzerveas@iis.ee.ethz.ch" class="auth_mail" title="E-mail the corresponding author} ; Enrico Caruso^b ; Giorgio Baccarani^c ; Lukas Czornomaz^d ; Nicolas Daix^d ; David Esseni^b ; Elena Gnani^c ; Antonio Gnudi^c ; Roberto Grassi^c ; Mathieu Luisier^a ; Troels Markussen^e ; Patrik Osgnach^b ; Pierpaolo Palestri^b ; Andreas Schenk^a ; Luca Selmi^b ; Marilyne Sousa^d ; Kurt Stokbro^e ; Michele Visciarelli^c
• 关键词：III-V semiconductors ; Band-structure ; DFT ; Tight-binding ; k  ; · ;   ; p ; Non-parabolic effective mass models ; Ultra-Thin Body MOSFET
• 刊名：Solid State Electronics
• 出版年：2016
• 出版时间：January 2016
• 年：2016
• 卷：115
• 期：part_PB
• 页码：92-102
• 全文大小：1614 K

文摘

We present and thoroughly compare band-structures computed with density functional theory, tight-binding, k·p$\mathbf{k}·\mathbf{p}$ and non-parabolic effective mass models. Parameter sets for the non-parabolic Γ$\Gamma$, the L and X valleys and intervalley bandgaps are extracted for bulk InAs, GaAs and InGaAs. We then consider quantum-wells with thickness ranging from 3 nm to 10 nm and the bandgap dependence on film thickness is compared with experiments for In_0.53Ga_0.47As${\mathrm{In}}_{0.53}{\mathrm{Ga}}_{0.47}\mathrm{As}$ quantum-wells. The impact of the band-structure on the drain current of nanoscale MOSFETs is simulated with ballistic transport models, the results provide a rigorous assessment of III–V semiconductor band structure calculation methods and calibrated band parameters for device simulations.