I’m sorry that I haven’t been very active the last few months, but let me get you up to speed on the current state of events:

1.) Roman Lucrezi has joined my project on Transition Metal Chalcogenides under Extreme Pressures as a PhD student in November and he is making very good progress. We hope to be able to present some of his results soon.
2.) Ethan Shapera will join our institute as a PostDoc researcher early next year, working on a new, very exciting project funded by Intellectual Ventures.
3.) I had the pleasure to collaborate on a project initiated by Prof. Peter Wahl and his group in St. Andrews. A preprint of our findings can be found here.

New paper in JPCL

I’m very happy to announce that we have recently published an article in Journal of Physical Chemistry Letters. In this work, we have investigated the superconducting phase of TaSe2 within its charge-density-wave phase in collaboration with the group of Prof. Duan. If you are interested, follow this link or drop me a message!

Phd position available

Dear all,
As mentioned before, I have an open Phd position to appoint within my recently granted project on „Transition Metal Chalcogenides under Extreme Pressures“. If you are interested, check out the announcement here and get in touch with me.

New paper on high-Tc hydrides

Dear all,
I’m happy to announce that a new paper of ours has just been published in Physical Review B – Rapid Communications here.
Together with Lilia Boeri, Giovanni B. Bachelet and Simone di Cataldo from the La Sapienza University of Rome we investigate completely from first principles the record high-Tc in yttrium-hydrides at extreme pressures. We find almost isotropic superconducting gaps, resulting from a uniform distribution of the coupling over states of both Y and H sublattices, a rather weak Coulomb screening and anharmonic effects are estimated to be weak as well. The corresponding critical temperatures at 300 GPa exceed room temperature in agreement with a previous isotropic-gap calculation. The different response of these two compounds to external pressure along with a comparison to low-Tc superconducting YH3 may inspire strategies to improve the superconducting properties of this class of hydrides.
Have a look if you are interested!

FWF-Project approved

Dear all,
I’m thrilled to announce that my application for a stand-alone project funded by the Austrian Science Fund (FWF) has been approved! This will give me the great opportunity to continue my research on superconductivity and materials at extreme pressures for the next 3.5 years, and also offer a paid Phd-position on this topic.
I’m very grateful to the FWF for offering me this opportunity and look forward working on these topics.

If you are interest and want to know more, please don’t hesitate to get in touch with me.

Science Advances paper on FeTe

On March 1st, Science Advances published our paper Manipulating surface magnetic order in iron telluride, in which we investigate the magnetic order in FeTe using an STM with magnetic tips. The experiments were carried out by Peter Wahl’s group at St. Andrews and the theoretical STM simulations were provided by us. Have a look if you are interested!

New paper on high-Tc

I’m very happy to let you know that we have made our newest work on high-Tc available as an arXiv paper. In this manuscript, titled „Superconductivity in sodalite-like yttrium hydride clathrates“ we investigate the superconducting properties of YH6 and YH10 using fully first-principles methods. We find superconducting critical temperatures above room temperature at around 300 GPa pressure and elucidate the mechanism leading to such high Tc’s in this class of materials.
Have a look if you are interested!

Paper published

Our paper entitled Quasiparticle GW band structures and Fermi surfaces of bulk and monolayer NbS2 has been published in Phys. Rev. B. If you are interested, you can look it up here.

New paper on GW calculations for NbS2

We have just released a new paper on arXiv titled Quasiparticle GW band structures and Fermi surfaces of bulk and monolayer NbS2, in which we investigate the effects of including many-body corrections at the level of GW on the electronic structure of bulk and monolayer NbS2. If you are interested, please follow this link.

It has already been accepted for publication and I will post a link to the published version as soon as it is ready.

arXiv version of recent paper

As promised, we have uploaded our recent paper on Unusual pressure-induced periodic lattice distortion in SnSe2 on arXiv for anyone not having access to the PRL version.
Just follow this link if you are interested.