Computational studies to unravel the atomic and electronic properties of  Transition Metal di-Halides (TMH2) materials

One postdoctoral position is available immediately at Donostia International Physics Center (DIPC) in San Sebastian (Spain). This postdoc will work on the theoretical study of a new class of 2D materials: the magnetic semiconductors 2D Transition Metal di-Halides (TMH2). A key advantage over other 2D materials is that TMH2 can be easily grown with high crystallinity on different substrates. Moreover, their interesting magnetic properties make these materials very appealing for their implementation in nano and optoelectronic devices.

The main goal of the project is to get more insight into the atomic and electronic structure of selected TMH2. For this purpose, we envision employing a series of computationally demanding quantum simulations at different levels of accuracy, including Density Functional Theory (DFT) and Density Matrix Renormalization Group (DMRG) combined with effective Hubbard models.

The theoretical project described here will benefit from our close collaboration with experimental groups, which will carry out the extensive characterization of the most promising TMH2 using high-resolution scanning probe microscopy and spectroscopy techniques operated in ultra-high vacuum (UHV) conditions.

We are looking for a postdoctoral researcher with expertise in theoretical and computational electronic structure methods, in particular DFT and/or many-body (DMRG) calculations. The candidate should be willing to perform stays of up to several months with our theory collaborators in the group of Prof. Pavel Jelinek at the Institute of Physics of the Czech Academy of Sciences, Prague.

Interested applicants should first send a detailed CV via email to Dr. Aran Garcia-Lekue ([email protected]). The short-listed applicants will be contacted for an online interview. Applications will be accepted until the position is filled.