TR 288 - Elasto-Q-Mat: Research Data

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Theoretical data for: Orbital occupancy and hybridization in strained SrVO3 epitaxial films
2021-09-09
Valadkhani, Adrian
These data were produced for an experimental paper of M. Mirjolet [1]. To generate them we used the density functional theory FPLO [2]. This gave us the integrated density of states, with whom we combined the different orbitals and atoms to obtain the results depicted in the publication [1]. The data of the post processing part are the data given in this upload. To reproduce the density functional part one needs to repeat the calculation. The input parameters are given in the publication [1]. For further information on the experimental data, please contact: mathieu.mirjolet@gmail.com. [1] M. Mirjolet et al. Phys. Rev. Mater. 5, 095002 (2021) [2] https://www.fplo.de/
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