Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Jakub Planer"'
Autor:
Wernfried Mayr-Schmölzer, Jakub Planer, Josef Redinger, Andreas Grüneis, Florian Mittendorfer
Publikováno v:
Physical Review Research, Vol 2, Iss 4, p 043361 (2020)
Zirconia (ZrO_{2}) has been well studied experimentally for decades, but still poses a severe challenge for computational approaches. We present thorough many-electron benchmark calculations within the random-phase approximation framework of the phas
Externí odkaz:
https://doaj.org/article/c970d06f42a142a08b36b9a4e128b669
Autor:
Veronika Stará, Pavel Procházka, Jakub Planer, Azin Shahsavar, Anton O. Makoveev, Tomáš Skála, Matthias Blatnik, Jan Čechal
Publikováno v:
Physical Review Applied. 18
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::866c032b1a17aa0c909c7e28dd52be8a
https://doi.org/10.1103/physrevapplied.18.044048
https://doi.org/10.1103/physrevapplied.18.044048
Autor:
Jens Langer, Andreas Limbeck, Florian Mittendorfer, Florian Maier, Josef Redinger, Michael Schmid, Ulrike Diebold, Hans-Peter Steinrück, Bettina S. J. Heller, Lynn A. Boatner, Jakub Planer, Margareta Wagner
Publikováno v:
Physical Review Materials. 5
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1919444c274c0d6bdf827f848096df3a
https://doi.org/10.1103/physrevmaterials.5.125001
https://doi.org/10.1103/physrevmaterials.5.125001
Autor:
Andreas Grüneis, Florian Mittendorfer, Wernfried Mayr-Schmölzer, Josef Redinger, Jakub Planer
Publikováno v:
Physical Review Research. 2
The authors show the shortcomings of density functional theory to produce a coherent description of theground state properties of ZrO${}_{2}$ polymorphs and show an alternative scheme using high-level many-electron methods.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::610e79810d65a1119c0c5354f138fcac
https://doi.org/10.1103/physrevresearch.2.043361
https://doi.org/10.1103/physrevresearch.2.043361
Publikováno v:
Journal of Physics: Condensed Matter. 33:475002
We present a density functional theory (DFT) study of the structural and electronic properties of the bare metallic rutile VO2 (110) surface and its oxygen-rich terminations. Due to the polyvalent nature of vanadium and abundance of oxide phases, the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0b16171ceff1c6400f8bb25674060351
https://doi.org/10.1088/1361-648x/ac2203
https://doi.org/10.1088/1361-648x/ac2203