Prof. Dr. Uwe Gerstmann

Contact
Publications
Prof. Dr. Uwe Gerstmann

Theoretical Materials Physics

Second Head - Professor

VCard

Quantum Materials Modelling

Head - Supernumerary Professor

VCard

Phone:
+49 5251 60-3481
Fax (External):
+49 5251 60-3435
E-mail:
uwe.gerstmann@upb.de
Office:
N3.329
Visitor:
Pohlweg 55
33098 Paderborn

Publications

Latest Publications

Rutile, anatase, brookite and titania thin film from Hubbard corrected and hybrid DFT

S. Badalov, A. Bocchini, R. Wilhelm, A.L. Kozub, U. Gerstmann, W.G. Schmidt, Materials Research Express (n.d.).

DOI https://iopscience.iop.org/article/10.1088/2053-1591/ace0fa
Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family

S. Neufeld, U. Gerstmann, L. Padberg, C. Eigner, G. Berth, C. Silberhorn, L.M. Eng, W.G. Schmidt, M. Rüsing, Crystals 13 (2023).

DOI
Electron polarons in lithium niobate: Charge localization, lattice deformation, and optical response

F. Schmidt, A.L. Kozub, U. Gerstmann, W.G. Schmidt, A. Schindlmayr, in: G. Corradi, L. Kovács (Eds.), New Trends in Lithium Niobate: From Bulk to Nanocrystals, MDPI, Basel, 2022, pp. 231–248.

DOI
Bound polaron formation in lithium niobate from ab initio molecular dynamics

M. Krenz, U. Gerstmann, W.G. Schmidt, Applied Physics A 128 (2022) 480.

DOI
DC Ionic Conductivity in KTP and Its Isomorphs: Properties, Methods for Suppression, and Its Connection to Gray Tracking

L. Padberg, V. Quiring, A. Bocchini, M. Santandrea, U. Gerstmann, W.G. Schmidt, C. Silberhorn, C. Eigner, Crystals 12 (2022) 1359.

DOI
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