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Publication list for members of
E165 - Institute of Materials Chemistry
E165-03 Theoretical Chemistry
as authors or essentially involved persons
Printed Original Contributions
2021 - 2021

4 records

1. S. Ehsan, M. Arrigoni, G.K.H. Madsen, P. Blaha, A. Tröster:
   "First-principles self-consistent phonon approach to the study of the vibrational propertiesand structural phase transition of BaTiO₃";
   Physical Review B, 103 (2021), 094108.
   
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2. F. Murphy-Armando, M. Brehm, P. Steindl, M. Lusk, T. Fromherz, K. Schwarz, P. Blaha:
   "Light emission from direct band gap germanium containing split-interstitial defects";
   Physical Review B, 103 (2021), 085310.
   
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3. Sami Dzsaber, X. Yan, M. Taupin, Gaku Eguchi, A. Prokofiev, T. Shiroka, P. Blaha, O. Rubel, S. Grefe, H. Lai, Q. Si, S. Paschen:
   "Giant spontaneous Hall effect in a nonmagnetic Weyl-Kondo semimetal";
   PNAS - Proceedings of the National Academy of Sciences of the United States of America, 118 (2021), e2013386118.
   
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4. O. Rubel, F. Tran, X. Rocquefelte, P. Blaha:
   "Perturbation approach to ab initio effective mass calculations";
   Computer Physics Communications, 261 (2021), 107648.
   
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