| Original language | English |
|---|---|
| Article number | 115158 |
| Number of pages | 8 |
| Journal | Physical Review B |
| Volume | 98 |
| Issue number | 11 |
| DOIs | |
| Publication status | Published - 27 Sept 2018 |
Funding
We acknowledge funding from the Austrian Science Fund FWF through SFB ViCoM, Project No. F04115 and computational resources from the VSC3 of the Vienna University of Technology and from the HPC TU Graz.
Austrian Fields of Science 2012
- 103015 Condensed matter
Keywords
- TOTAL-ENERGY CALCULATIONS
- AUGMENTED-WAVE METHOD
- CHARGE-DENSITY-WAVE
- CRYSTAL-STRUCTURE
- SEMICONDUCTOR TRANSITION
- MOLECULAR-DYNAMICS
- BASIS-SET
- SUPERCONDUCTIVITY
- BAPB1-XBIXO3
- PEROVSKITE
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Dive into the research topics of 'Ab initio study of ABiO(3) (A = Ba, Sr, Ca) under high pressure'. Together they form a unique fingerprint.Projects
- 1 Finished
-
ViCoM II: Vienna Computational Materials Laboratory
Süss, D. (Co-Lead), Kresse, G. (Project Lead), Held, K. (Co-Lead), Verstraete, F. (Co-Lead), Burgdorfer, J. (Project Lead), Mauser, N. (Co-Lead), Blaha, P. (Co-Lead), Mohn, P. (Co-Lead), Podloucky, R. (Co-Lead), Dellago, C. (Co-Lead) & Resch, A. (Admin)
1/06/10 → 30/06/19
Project: Research funding
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