Vaida Arcisauskaite: First-Principles Simulations of 2D Heterojunction Tunneling Field-Effect Transistors using QuantumATK

Anders Blom1, Daniele Stradi2, Petr A. Khomyakov2, Vaida Arcisauskaite2* and Kurt Stokbro2  1Synopsys, Inc., 690 E Middlefield Rd, Mountain View, CA 94043, USA 2Synopsys Denmark ApS, Fruebjergvej 3, 2100 Copenhagen, Denmark   Two-dimensional (2D) materials are very attractive for the nanoelectronics industry since they could become the new channel materials of the future nanoelectronics devices and solve the problems related to non-negligible quantization of Si electronic structure upon scaling. In this poster, I will present our group’s work on simulating a 2D materials-based heterojunction tunneling field-effect transistor (TFET) with the QuantumATK software suite. [1] Specifically, we will consider a (SC) and asymmetrically-contacted (ASC) TFET where the channel is formed by a heterojunction based on two-dimensional (2D) semiconductors: MoTe2/SnS2. [2] In the SC device, we use Au for both the source and drain metallic contacts, whereas in the ACS device, we use Al in the drain, in order to have a rather large work function difference between the contacts. Our simulations show how the device trans-conductance of a TFET can be engineered by an appropriate choice of the metallic electrodes. The results also highlight the importance of atomistic device simulations for the optimization of the electrical characteristics of devices based on non-conventional materials.  [1] Synopsys QuantumATK (https://www.synopsys.com/silicon/quantumatk.html) [2] G. Fiori, F. Bonaccorso, G. Iannaccone, T. Palacios, D. Neumaier, A. Seabaugh, S. K. Banerjee, and L. Colombo, Nat. Nanotech. 9, 768 (2014). Vaida Arcisauskaite is currently a senior scientific communication specialist for Synopsys QuantumATK. She received her MA degree in physics, environmental and chemical physics (with magna cum laude) from Vilnius University (2009) and a Ph.D. in computational chemistry (2013) from Copenhagen University where she studied perturbed angular correlation (PAC)/NMR spectroscopic properties and dynamics of compounds containing metal ions. After finishing her Ph.D., she spent 3 years as a postdoctoral research associate at Oxford University studying electronic structure and electron transport in transition metal systems, before joining the Synopsys QuantumATK team in 2017.