The Computational Nanoelectronics Group at the Integrated Systems Laboratory of ETH Zurich is developing and applying advanced simulation tools to investigate the properties of nanoscale devices. For a research project on the modeling of electro-thermal transport in 2-D materials, we are looking for
2 Ph.D. students in atomistic modeling of 2-D materials
Job description: Since 2004 and the first successful isolation of graphene, even more after 2011 and the pioneer demonstration of a single-layer transition metal dichalcogenide (TMD) based transistor, the research in 2-D materials has not stopped gaining in importance. On the experimental side, daily progresses are made in the exfoliation and growth of higher-quality crystals, their reliable transfer onto different substrates, the clean deposition of oxide layers on top of them, the addition of metallic contacts with lower resistances, and their doping with better-suited atoms. Nevertheless, the parameter space to explore is extremely wide, the possible material combinations very large so that support from computational modeling has become absolutely necessary to move from an intuition-driven design of 2-D devices to a theory- and simulation-guided one. The goal of the aformentioned Ph.D. theses is therefore to develop advanced simulation methodologies in order to shed light on the electro-thermal transport properties of single-layer 2-D materials and van der Waals heterostructures (vdWHs) made of two TMD monolayers such as MoS2, MoTe2, or WSe2. The required physical models will be added to an existing, state-of-the-art device simulator called OMEN. This will allow for coupled electron and phonon quantum transport calculations from first-principles in ultra-scaled 2-D transistors and vdWHs. The most challenging problems to address by the Ph.D. students will be the generation of ab-initio Hamiltonian and dynamical matrices for complex 2-D atomic systems, the derivation of a general self-energy expression for the scattering of electrons with confined longitudinal optical phonons, the evaluation of the interplay between lattice temperature increases and structural deformations, and the inclusion of anharmonic phonon decay processes in 2-D thermal transport.
an exciting and challenging activity in a team of motivated physicists and electrical engineers and a salary according to the standard of ETH Zurich. The participation to international conferences and the collaboration with industry and academia is strongly encouraged and supported.
Successful candidates should have a Diploma or Master degree in electrical engineering, physics, material science, computational chemistry or in a related discipline, good programming skills, and interests in physics-based device modeling. Experience with a density-functional theory tool such as VASP, Quantum ESPRESSO, OpenMX, Siesta, or CP2K is highly desired. Starting date is January 1st 2018.