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347 Publications
2021 | Journal Article | LibreCat-ID: 22881
T. T. N. Nguyen, T. Sollfrank, C. Tegenkamp, E. Rauls, and U. Gerstmann, “Impact of screening and relaxation on weakly coupled two-dimensional heterostructures,” Physical Review B, vol. 103, p. L201408, 2021, doi: 10.1103/physrevb.103.l201408.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22310
S. Neufeld, A. Bocchini, and W. G. Schmidt, “Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory,” Physical Review Materials, 2021, doi: 10.1103/physrevmaterials.5.064407.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22008
J. Plaickner, E. Speiser, C. Braun, W. G. Schmidt, N. Esser, and S. Sanna, “Surface localized phonon modes at the Si(553)-Au nanowire system,” Physical Review B, 2021, doi: 10.1103/physrevb.103.115441.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40244
L. Meier and W. G. Schmidt, “GaInP/AlInP(001) Interfaces from Density Functional Theory,” physica status solidi (b), vol. 259, no. 1, Art. no. 2100462, 2021, doi: 10.1002/pssb.202100462.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22009
I. A. Ruiz Alvarado, M. Karmo, E. Runge, and W. G. Schmidt, “InP and AlInP(001)(2 × 4) Surface Oxidation from Density Functional Theory,” ACS Omega, pp. 6297–6304, 2021, doi: 10.1021/acsomega.0c06019.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24975
M. Franz et al., “Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon,” Nature Chemistry, pp. 828–835, 2021, doi: 10.1038/s41557-021-00721-2.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 23418 | 
A. L. Kozub, A. Schindlmayr, U. Gerstmann, and W. G. Schmidt, “Polaronic enhancement of second-harmonic generation in lithium niobate,” Physical Review B, vol. 104, p. 174110, 2021, doi: 10.1103/PhysRevB.104.174110.
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| arXiv
2020 | Journal Article | LibreCat-ID: 40233
L. Meier, C. Braun, T. Hannappel, and W. G. Schmidt, “Band Alignment at Ga x In 1– x P/Al y In 1– y P Alloy Interfaces from Hybrid Density Functional Theory Calculations,” physica status solidi (b), vol. 258, no. 2, Art. no. 2000463, 2020, doi: 10.1002/pssb.202000463.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17067
E. Speiser, N. Esser, B. Halbig, J. Geurts, W. G. Schmidt, and S. Sanna, “Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures,” Surface Science Reports, vol. 75, no. 1, Art. no. 100480, 2020, doi: 10.1016/j.surfrep.2020.100480.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19190 |
F. Schmidt et al., “Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations,” Physical Review Research, vol. 2, no. 4, Art. no. 043002, 2020, doi: 10.1103/PhysRevResearch.2.043002.
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