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UKF PROJECT (PI)

Van der waals heterostructures: fundamentals and applications 

Duration: December 15, 2015 - December 14, 2017
Budget: 1.65 M HRK (~240k USD)

Principal Investigator: Predrag Lazic (RBI)
Postdoctoral researcher: Ravi Kumar Trivedi

Short description of the project:
The project is joint computational/theoretical and experimental effort to find new materials based on the layered van der Waals materials - such as graphene, MoS2, etc. The project aims in prediction and calculation of layered (2 layers) heterostructures of vdW materials. The computational high-throughput approach should be followed by the experimental testing of the predicted materials. Also, a study of simple devices made of new materials is envisioned.


PUBLICATIONS:

P. Lazić
CellMatch: combining two
unit cells into a common supercell with minimal strain
Comput. Phys. Comm. 197, 324 (2015).
http://dx.doi.org/10.1016/j.cpc.2015.08.038

I. Šrut Rakić, V. Mikšić Trontl, P. Pervan, P. Lazić, W. Sun, C. Busse, F. Craes, W. Jole, and M. Kralj
Step-induced faceting and related electronic effects for graphene on Ir(332)
Carbon 110, 267 (2016).
http://dx.doi.org/10.1016/j.carbon.2016.09.024



J. M. Marmolejo-Tejada, P.-H. Chang, P. Lazić, S. Smidstrup, D. Stradi, K. Stokbro, B. K. Nikolić
Topological-insulator/ferromagnetic-metal interface band and spin structure decoded by
first-principles Green functions and tunneling anisotropic magnetoresistance

http://arxiv.org/abs/1701.00462

D. Dombrowski, W. Jolie, M. Petrovi
ć, S. Runte, F. Craes, J. Klinkhammer, M. Kralj, P. Lazić, E. Sela, and C. Busse
Energy-dependent chirality effects in quaifree-standing graphene
Accepted for publication in Physical Review Letters


EXPERIMENTS:

The synthesis of tranisiton metal dichalcogenide (TMD) monolayers and bilayer heterostructures on the chemical vapor deposition (CVD) growth in a home-made setup with direct optical access for the in-situ growth monitoring. The main materials of interest regard MoS2 and WS2. The shown movie reveals a growth of MoS2 mono- and bilayer structures, which is controlled by the amount and speed of delivered precursors. After synthesis, the material chemical composition and quality is tested and confirmed with Raman spectroscopy and optical and AFM imaging. The presetned exampes show MoS2 and WS2 single-crystal monolayer flakes as well as directly grown AB stacked MoS2/WS2 heterostructure and the corresponding Raman spectra.