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347 Publications
2021 | Journal Article | LibreCat-ID: 22881
Nguyen, T. T. N., Sollfrank, T., Tegenkamp, C., Rauls, E., & Gerstmann, U. (2021). Impact of screening and relaxation on weakly coupled two-dimensional heterostructures. Physical Review B, 103, L201408. https://doi.org/10.1103/physrevb.103.l201408
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22310
Neufeld, S., Bocchini, A., & Schmidt, W. G. (2021). Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.5.064407
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22008
Plaickner, J., Speiser, E., Braun, C., Schmidt, W. G., Esser, N., & Sanna, S. (2021). Surface localized phonon modes at the Si(553)-Au nanowire system. Physical Review B. https://doi.org/10.1103/physrevb.103.115441
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 40244
Meier, L., & Schmidt, W. G. (2021). GaInP/AlInP(001) Interfaces from Density Functional Theory. Physica Status Solidi (b), 259(1), Article 2100462. https://doi.org/10.1002/pssb.202100462
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 22009
Ruiz Alvarado, I. A., Karmo, M., Runge, E., & Schmidt, W. G. (2021). InP and AlInP(001)(2 × 4) Surface Oxidation from Density Functional Theory. ACS Omega, 6297–6304. https://doi.org/10.1021/acsomega.0c06019
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 24975
Franz, M., Chandola, S., Koy, M., Zielinski, R., Aldahhak, H., Das, M., Freitag, M., Gerstmann, U., Liebig, D., Hoffmann, A. K., Rosin, M., Schmidt, W. G., Hogan, C., Glorius, F., Esser, N., & Dähne, M. (2021). Controlled growth of ordered monolayers of N-heterocyclic carbenes on silicon. Nature Chemistry, 828–835. https://doi.org/10.1038/s41557-021-00721-2
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 23418 | 
Kozub, A. L., Schindlmayr, A., Gerstmann, U., & Schmidt, W. G. (2021). Polaronic enhancement of second-harmonic generation in lithium niobate. Physical Review B, 104, 174110. https://doi.org/10.1103/PhysRevB.104.174110
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| arXiv
2020 | Journal Article | LibreCat-ID: 40233
Meier, L., Braun, C., Hannappel, T., & Schmidt, W. G. (2020). 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), 258(2), Article 2000463. https://doi.org/10.1002/pssb.202000463
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17067
Speiser, E., Esser, N., Halbig, B., Geurts, J., Schmidt, W. G., & Sanna, S. (2020). Vibrational Raman spectroscopy on adsorbate-induced low-dimensional surface structures. Surface Science Reports, 75(1), Article 100480. https://doi.org/10.1016/j.surfrep.2020.100480
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19190 |
Schmidt, F., Kozub, A. L., Biktagirov, T., Eigner, C., Silberhorn, C., Schindlmayr, A., Schmidt, W. G., & Gerstmann, U. (2020). Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations. Physical Review Research, 2(4), Article 043002. https://doi.org/10.1103/PhysRevResearch.2.043002
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