Publications

Our tremendous output is proof of the excellent research acieved in an interdisciplinary environment. Below, you can either scroll through the complete list of our annually published material, or search for a specific author or term via the free text search to get to know our research strengths. You can also review the publication record of every RC FEMS member via his or her personal member’s page.

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  • 2024
2024
  • article
article2024Kasper A. HunnestadHena DasConstantinos HatzoglouMegan HoltzCharles M. BrooksAntonius T. J. HelvoortDavid A. MullerDarrell G. SchlomJulia A. MundyDennis Meier

3D oxygen vacancy distribution and defect-property relations in an oxide heterostructure

Kasper A. Hunnestad, Hena Das, Constantinos Hatzoglou, Megan Holtz, Charles M. Brooks, Antonius T. J. Helvoort, David A. Muller, Darrell G. Schlom, Julia A. Mundy, Dennis Meier:
Nature Communications (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85197143080&doi=10.1038%2fs41467-024-49437-0&partnerID=40&md5=634816ecacadcfe9168461993cb34e79https://dx.doi.org/10.1038/s41467-024-49437-0
2024
  • article
article2024Susanne KunzmannThomas HammerschmidtGabi SchierningAnna Grünebohm

Ab initio study of transition paths between (meta)stable phases of Nb and Ta-substituted Nb

Susanne Kunzmann, Thomas Hammerschmidt, Gabi Schierning, Anna Grünebohm:
Physical Review Materials (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85188159882&doi=10.1103%2fPhysRevMaterials.8.033603&partnerID=40&md5=dcf6331297d7a54dc5db9f1e3aa3e3aahttps://dx.doi.org/10.1103/PhysRevMaterials.8.033603
2024
  • article
article2024Ayoub AouinaPedro BorlidoMiguel A. L. MarquesSilvana Botti

Assessing Exchange-Correlation Functionals for Accurate Densities of Solids

Ayoub Aouina, Pedro Borlido, Miguel A. L. Marques, Silvana Botti:
Journal of Chemical Theory and Computation (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85211020967&doi=10.1021%2facs.jctc.4c01042&partnerID=40&md5=8ef3c4a4be376d5eaeae9c7fc8b44f57https://dx.doi.org/10.1021/acs.jctc.4c01042
2024
  • article
article2024Ayoub AouinaPedro BorlidoMiguel A. L. MarquesSilvana Botti

Assessing Exchange-Correlation Functionals for Accurate Densities of Solids

Ayoub Aouina, Pedro Borlido, Miguel A. L. Marques, Silvana Botti:
Journal of Chemical Theory and Computation (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85211020967&doi=10.1021%2facs.jctc.4c01042&partnerID=40&md5=8ef3c4a4be376d5eaeae9c7fc8b44f57https://dx.doi.org/10.1021/acs.jctc.4c01042
2024
  • article
article2024Y.J. LiS. BahaG. LaplancheA. Ludwig

Atomic-scale investigation of Mo distribution and its effect on phase stability of a nanocrystalline CrCoNi-based medium-entropy alloy

Y.J. Li, S. Baha, G. Laplanche, A. Ludwig:
Journal of Alloys and Compounds (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85196306545&doi=10.1016%2fj.jallcom.2024.175226&partnerID=40&md5=9e2bb3dfd09414b3615711921868ec8ehttps://dx.doi.org/10.1016/j.jallcom.2024.175226
2024
  • article
article2024Jan ErtlMichael MarquardtMoritz SchumacherPatric RommelJörg MainManfred Bayer

Classical dynamics and semiclassical analysis of excitons in cuprous oxide

Jan Ertl, Michael Marquardt, Moritz Schumacher, Patric Rommel, Jörg Main, Manfred Bayer:
Physical Review B (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85190328573&doi=10.1103%2fPhysRevB.109.165203&partnerID=40&md5=9ec45120251f80d067e7813ae1b70178https://dx.doi.org/10.1103/PhysRevB.109.165203
2024
  • article
article2024Katharina WolkRuben S. DraglandElvia Chavez PanduroMichael E. HjelmstadLeonie RicharzZewu YanEdith BourretKasper A. HunnestadChristian TzschaschelJan SchultheißDennis Meier

Coexistence of multi-scale domains in ferroelectric polycrystals with non-uniform grain-size distributions

Katharina Wolk, Ruben S. Dragland, Elvia Chavez Panduro, Michael E. Hjelmstad, Leonie Richarz, Zewu Yan, Edith Bourret, Kasper A. Hunnestad, Christian Tzschaschel, Jan Schultheiß, Dennis Meier:
Matter (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85195422336&doi=10.1016%2fj.matt.2024.04.041&partnerID=40&md5=036891ae567773f3689ba10a6169491ahttps://dx.doi.org/10.1016/j.matt.2024.04.041
2024
  • article
article2024Erik KirsteinEvgeny A. ZhukovDmitri R. YakovlevNataliia E. KoptevaEyüp YalcinIlya A. AkimovOleh HordiichukDmitry N. DirinMaksym V. KovalenkoManfred Bayer

Coherent Carrier Spin Dynamics in FAPbBr3 Perovskite Crystals

Erik Kirstein, Evgeny A. Zhukov, Dmitri R. Yakovlev, Nataliia E. Kopteva, Eyüp Yalcin, Ilya A. Akimov, Oleh Hordiichuk, Dmitry N. Dirin, Maksym V. Kovalenko, Manfred Bayer:
Journal of Physical Chemistry Letters (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85187146397&doi=10.1021%2facs.jpclett.4c00098&partnerID=40&md5=c5b7f10136273e2155f713452838ad92https://dx.doi.org/10.1021/acs.jpclett.4c00098
2024
  • article
article2024Ridha ZerdoumiAlan SavanMarshal AmalrajEmmanuel Batsa TettehFlorian LourensOlga A. KrysiakJoão R. C. JunqueiraAlfred LudwigWolfgang Schuhmann

Combinatorial Screening of Electronic and Geometric Effects in Compositionally Complex Solid Solutions Toward a Rational Design of Electrocatalysts

Ridha Zerdoumi, Alan Savan, Marshal Amalraj, Emmanuel Batsa Tetteh, Florian Lourens, Olga A. Krysiak, João R. C. Junqueira, Alfred Ludwig, Wolfgang Schuhmann:
Advanced Energy Materials (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85178213721&doi=10.1002%2faenm.202302177&partnerID=40&md5=6dfe4b552bba832e6b9d218986e7f320https://dx.doi.org/10.1002/aenm.202302177
2024
  • article
article2024Michael SeifertTomáš RauchMiguel A. L. MarquesSilvana Botti

Computational prediction and characterization of CuI-based ternary p-type transparent conductors

Michael Seifert, Tomáš Rauch, Miguel A. L. Marques, Silvana Botti:
Journal of Materials Chemistry C (2024)

https://www.scopus.com/inward/record.uri?eid=2-s2.0-85192489724&doi=10.1039%2fd4tc00277f&partnerID=40&md5=6e15c2a2b15ed458b720b3ea4cb84f4dhttps://dx.doi.org/10.1039/d4tc00277f