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arXiv · 1812.01970

Ab-initio quantum transport simulation of self-heating in single-layer 2-D materials

Christian Stieger·Aron Szabo·Teute Bunjaku·Mathieu Luisier
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Abstract

Through advanced quantum mechanical simulations combining electron and phonon transport from first-principles self-heating effects are investigated in n-type transistors with a single-layer MoS2, WS2, and black phosphorus as channel materials. The selected 2-D crystals all exhibit different phonon-limited mobility values, as well as electron and phonon properties, which has a direct influence on the increase of their lattice temperature and on the power dissipated inside their channel as a function of the applied gate voltage and electrical current magnitude. This computational study reveals (i) that self-heating plays a much more important role in 2-D materials than in Si nanowires, (ii) that it could severely limit the performance of 2-D devices at high current densities, and (iii) that black phosphorus appears less sensitive to this phenomenon than transition metal dichalcogenides.

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Christian Stieger, Aron Szabo, Teute Bunjaku, Mathieu Luisier. 2018-12-05. Ab-initio quantum transport simulation of self-heating in single-layer 2-D materials. https://doi.org/10.1063/1.4990384

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