René Wirnata

René Wirnata
Technische Universität Bergakademie Freiberg · Institute of Theoretical Physics

PhD

About

7
Publications
10,541
Reads
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39
Citations
Citations since 2016
7 Research Items
39 Citations
201620172018201920202021202202468
201620172018201920202021202202468
201620172018201920202021202202468
201620172018201920202021202202468
Introduction
Currently, I'm developing a code for calculating wave vector dependent response functions of simple FCC materials by extending state-of-the-art ab initio DFT programs. Especially the impact of electric and magnetic fields on properties like the refractive index or the dielectric function is highly interesting. Once our code is finished, we will be able to compute a variety of new materials properties that could help to understand optical experiments like the ones connected to MOKE.
Additional affiliations
November 2016 - November 2016
Technische Universität Bergakademie Freiberg
Position
  • PhD Student
Education
October 2014 - October 2016
Technische Universität Bergakademie Freiberg
Field of study
  • Theoretical Physics / Electrodynamics in Materials Science
October 2010 - October 2014
Technische Universität Bergakademie Freiberg
Field of study
  • Theoretical Physics / Computational Thermodynamics

Publications

Publications (7)
Preprint
Full-text available
We discuss the fundamental response tensor of the free, homogeneous, non-relativistic electron gas and the ensuing material properties derived by means of Universal Response Relations. In particular, we investigate the spin contribution to the electromagnetic current as well as the resulting cross correlation terms with the orbital current, and sho...
Poster
Full-text available
In ab initio materials physics, it is common practice to consider the conductivity tensor σ(k, ω) in the optical limit, i.e. k → 0. However, response functions are naturally functions of both, wavevector and frequency. Using Universal Response Relations (URR) [1], we are able to construct e. g. a frequency and wavevector-dependent dielectric tensor...
Article
Full-text available
We discuss the calculation of the refractive index by means of the ab initio scalar dielectric function and point out its inherent limitations. To overcome these, we start from the recently proposed fundamental, microscopic wave equation in materials in terms of the frequency- and wavevector-dependent dielectric tensor, and investigate under which...
Thesis
Full-text available
In this master thesis, the wave vector dependence of electromagnetic response functions (such as the permittivity, the density response and the conductivity) has been analyzed numerically for a set of crystallographically simple materials (such as C, Si, AlP, GaAs, LiF in fcc structure). For this purpose, the FP-LAPW method in Density Functional Th...
Article
We investigate the electronic structure, dielectric and optical properties of bismuth tellurohalides BiTeX (X = I, Cl, Br) by means of all-electron density functional theory. In particular, we present the ab initio conductivities and dielectric tensors calculated over a wide frequency range, and compare our results with the recent measurements by A...
Article
The heat capacity of Fe2Al5 was calculated using first principle methods and was measured on four compositions between 71.17 at.% Al and 72.17 at.% Al in the temperature range between 235 K and 1073 K. An order/disorder reaction in η-AlFe was found occurring in the range between 523 K and 553 K. Excellent agreement between the calculated and measur...
Article
Full-text available
In this overview article, the widely used relativistic corrections for hydrogen-like atoms are summarized. When using the Schroedinger equation as a starting point for the description of quantum systems, even for the simple case of the hydrogen atom some important effects that lead to shifting of energy levels or band splitting in solids respective...

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Projects

Projects (2)
Project
Concise answers to frequently asked questions in theoretical physics
Project
Microscopic theory of electromagnetic materials properties