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| | Preview | Author(s) | Title | Type | Issue Date |
| 221 | | Tran, F ; Blaha, Peter | Density-gradient-free variable in exchange-correlation functionals for detecting inhomogeneities in the electron density | Präsentation Presentation | 2019 |
| 222 | | Karsai, Ferenc ; Humer, Moritz ; Kresse, Georg ; Flage-Larsen, Espen ; Blaha, Peter | The K-edge of Hexagonal Boron Nitride Revisited: Effects of Electron-phonon Coupling on the Absorption Spectrum | Präsentation Presentation | 2019 |
| 223 | | Doumont, Jan ; Tran, F ; Blaha, Peter | Limitations of the DFT-1/2 method for covalent semiconductors and transition-metal oxides | Präsentation Presentation | 2019 |
| 224 | | Kalantari, Leila ; Schubert, Jasmin ; Cherevan, Alexey ; Eder, Dominik ; Blaha, Peter | Water Adsorbtion on CuOₓ and NiOₓ clusters Attached to the Anatase TiO₂(101) Surface by DFT Calculations | Präsentation Presentation | 2019 |
| 225 | | Tran, F | Density-gradient-free variable in exchange-correlation functionals for detecting inhomogeneities in the electron density | Präsentation Presentation | 2019 |
| 226 | | Kraushofer, Florian ; Franceschi, Giada ; Zdenek, Jakub ; Bichler, Magdalena ; Riva, Michele ; Schmid, Michael ; Diebold, Ulrike ; Blaha, Peter ; Parkinson, Gareth S. | Surface structure of Ti-doped Hematite α-Fe2O3 films grown by pulsed laser deposition | Präsentation Presentation | 2019 |
| 227 | | Schwarz, Karlheinz | Density functional theory as implemented in WIEN2k | Präsentation Presentation | 2019 |
| 228 | | Ehsan, Sohaib ; Arrigoni, Marco ; Madsen, Georg ; Blaha, Peter | A first-principle self-consistent phonon approach for studying the vibrational properties of the high-temperature phases of pervoskites | Präsentation Presentation | 2019 |
| 229 | | Belbase, Kamal ; Tröster, Andreas ; Blaha, Peter | Implementation of stress tensor in LAPW method with emphasis on WIEN2k | Präsentation Presentation | 2019 |
| 230 | | Blaha, Peter | Accuracy of electronic structure calculations | Präsentation Presentation | 2019 |
| 231 | | Blaha, Peter | DFT approximations: Which one to use ? | Präsentation Presentation | 2019 |
| 232 | | Madsen, Georg | Phonon superscatterers | Präsentation Presentation | 2019 |
| 233 | | Madsen, Georg | Point defects as phonon super scatterers | Präsentation Presentation | 2019 |
| 234 | | Carrete, Jesus | First-principles lattice thermal transport calculations: achievements, challenges and strategies | Präsentation Presentation | 2019 |
| 235 | | Blaha, Peter | The all-electron APW code WIEN2k: Applications to phonon related properties | Präsentation Presentation | 2019 |
| 236 | | Madsen, Georg | The role of local chemistry in point defect phonon scattering | Präsentation Presentation | 2019 |
| 237 | | Lindenthal, Lorenz ; Rameshan, Raffael ; Popovic, Janko ; Ruh, Thomas ; Raschhofer, Johannes ; Nenning, Andreas ; Opitz, Alexander ; Rameshan, Christoph | Tailoring Catalyst Surfaces for Chemical Energy Conversion - Operando Spectroscopic Studies of Nanoparticle Exsolution | Konferenzbeitrag Inproceedings | 2019 |
| 238 | | Dzsaber, Sami ; Yan, Xinlin ; Taupin, Mathieu ; Eguchi, Gaku ; Prokofiev, Andrey ; Shiroka, T. ; Blaha, Peter ; Rubel, O. ; Grefe, Sarah E ; Lai, Hsin-Hua ; Si, Qimiao ; Paschen, Silke | Giant spontaneous Hall effect in a nonmagnetic Weyl-Kondo semimetal | Preprint Preprint | 2019 |
| 239 | | Dörr, Tobias Sebastian ; Deilmann, Leonie ; Haselmann, Greta Marie ; Cherevan, Alexey ; Peng, Zhang ; Blaha, Peter ; De Oliveira, Peter William ; Kraus, Tobias ; Eder, Dominik | Ordered Mesoporous TiO₂ Gyroids: Effects of Pore Architecture and Nb‐Doping on Photocatalytic Hydrogen Evolution under UV and Visible Irradiation | Artikel Article  | 6-Nov-2018 |
| 240 | | Zhu, Yuanhu ; Carrete Montana, Jesús ; Meng, Quing-Long ; Huang, Zhiwei ; Mingo, Natalio ; Jiang, Peng ; Xinhe, Bao | Independently tuning the power factor and thermal conductivity of SnSe via Ag₂S addition and nanostructuring | Artikel Article | 7-May-2018 |
