Forum for Science, Industry and Business

Sponsored by:     3M 
Search our Site:

 

Calculating correlated materials from first principles

14.02.2019

New Leibniz Junior Research Group headed by Oleg Janson at Leibniz Institute for Solid State and Materials Research Dresdan (IFW Dresden)

Modern functional materials such as superconductors or magnets are underlain by interacting electrons. A detailed description of electronic correlations is important to understand these materials and to devise new applications.


Dr. Oleg Janson, Head of the new Leibniz Junior Research Group at IFW Dresden

Photo: R. Uhlemann, IFW Dresden

Although exact solutions are restricted to a handful of simple models, the recent development of computational methods holds promise for a forthcoming breakthrough.

Dr. Oleg Janson from IFW Dresden wants to employ such state-of-the-art numerical methods and calculate correlations effects in real materials.

For this he received a grant for a Leibniz Junior Research Group in the 2019 Leibniz Competition. In cooperation with his colleagues at the Vienna University of Technology (TU Wien), Oleg Janson intends to combine conventional electronic structure methods based on the density functional theory (DFT) with the advanced many-body methods such as the dynamical mean field theory (DMFT) and its diagrammatic extensions.

In particular, the program package FPLO (Full-Potential, Local-Orbital) developed at the IFW Dresden will be combined with modern impurity solvers to facilitate numerically efficient DFT+DMFT calculations for real materials.

In this way, the physical properties of correlated materials can be studied and even predicted. Although this project resides in theoretical physics, its importance goes beyond basic research. The results can be used e.g. as a guidance for material development of novel electronic components.

Wissenschaftliche Ansprechpartner:

Dr. Oleg Janson
o.janson@ifw-dresden.de

Dr. Carola Langer | idw - Informationsdienst Wissenschaft
Further information:
http://www.ifw-dresden.de

More articles from Materials Sciences:

nachricht Scientists' design discovery doubles conductivity of indium oxide transparent coatings
18.09.2019 | University of Liverpool

nachricht Heat shields for economical aircrafts
18.09.2019 | Fraunhofer-Institut für Werkstoff- und Strahltechnik IWS

All articles from Materials Sciences >>>

The most recent press releases about innovation >>>

Die letzten 5 Focus-News des innovations-reports im Überblick:

Im Focus: Stevens team closes in on 'holy grail' of room temperature quantum computing chips

Photons interact on chip-based system with unprecedented efficiency

To process information, photons must interact. However, these tiny packets of light want nothing to do with each other, each passing by without altering the...

Im Focus: Happy hour for time-resolved crystallography

Researchers from the Department of Atomically Resolved Dynamics of the Max Planck Institute for the Structure and Dynamics of Matter (MPSD) at the Center for Free-Electron Laser Science in Hamburg, the University of Hamburg and the European Molecular Biology Laboratory (EMBL) outstation in the city have developed a new method to watch biomolecules at work. This method dramatically simplifies starting enzymatic reactions by mixing a cocktail of small amounts of liquids with protein crystals. Determination of the protein structures at different times after mixing can be assembled into a time-lapse sequence that shows the molecular foundations of biology.

The functions of biomolecules are determined by their motions and structural changes. Yet it is a formidable challenge to understand these dynamic motions.

Im Focus: Modular OLED light strips

At the International Symposium on Automotive Lighting 2019 (ISAL) in Darmstadt from September 23 to 25, 2019, the Fraunhofer Institute for Organic Electronics, Electron Beam and Plasma Technology FEP, a provider of research and development services in the field of organic electronics, will present OLED light strips of any length with additional functionalities for the first time at booth no. 37.

Almost everyone is familiar with light strips for interior design. LED strips are available by the metre in DIY stores around the corner and are just as often...

Im Focus: Tomorrow´s coolants of choice

Scientists assess the potential of magnetic-cooling materials

Later during this century, around 2060, a paradigm shift in global energy consumption is expected: we will spend more energy for cooling than for heating....

Im Focus: The working of a molecular string phone

Researchers from the Department of Atomically Resolved Dynamics of the Max Planck Institute for the Structure and Dynamics of Matter (MPSD) at the Center for Free-Electron Laser Science in Hamburg, the University of Potsdam (both in Germany) and the University of Toronto (Canada) have pieced together a detailed time-lapse movie revealing all the major steps during the catalytic cycle of an enzyme. Surprisingly, the communication between the protein units is accomplished via a water-network akin to a string telephone. This communication is aligned with a ‘breathing’ motion, that is the expansion and contraction of the protein.

This time-lapse sequence of structures reveals dynamic motions as a fundamental element in the molecular foundations of biology.

All Focus news of the innovation-report >>>

Anzeige

Anzeige

VideoLinks
Industry & Economy
Event News

Society 5.0: putting humans at the heart of digitalisation

10.09.2019 | Event News

Interspeech 2019 conference: Alexa and Siri in Graz

04.09.2019 | Event News

AI for Laser Technology Conference: optimizing the use of lasers with artificial intelligence

29.08.2019 | Event News

 
Latest News

UMD-led study captures six galaxies undergoing sudden, dramatic transitions

19.09.2019 | Physics and Astronomy

Study points to new drug target in fight against cancer

19.09.2019 | Health and Medicine

New tool improves beekeepers' overwintering odds and bottom line

19.09.2019 | Life Sciences

VideoLinks
Science & Research
Overview of more VideoLinks >>>