Publications of Christian Carbogno

Journal Article (30)

2018
Journal Article
Shang, H., N. Raimbault, P. Rinke, M. Scheffler, M. Rossi and C. Carbogno: All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT. New Journal of Physics 20 (7), 073040 (2018).
2017
Journal Article
Bhattacharya, A., C. Carbogno, B. Böhme, M. Baitinger, J. Grin and M. Scheffler: Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking. Physical Review Letters 118 (23), 236401 (2017).
Journal Article
Carbogno, C., R. Ramprasad and M. Scheffler: Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids. Physical Review Letters 118 (17), 175901 (2017).
Journal Article
Ghiringhelli, L.M., C. Carbogno, S.V. Levchenko, F.R. Mohamed, G. Huhs, M. Lüders, M. Oliveira and M. Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats. npj Computational Materials 3, 46 (2017).
Journal Article
Shang, H., C. Carbogno, P. Rinke and M. Scheffler: Lattice dynamics calculations based on density-functional perturbation theory in real space. Computer Physics Communications 215, 26–46 (2017).
2015
Journal Article
Knuth, F., C. Carbogno, V. Atalla, V. Blum and M. Scheffler: All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals. Computer Physics Communications 190, 33–50 (2015).
Journal Article
Sezen, H., H. Shang, F. Bebensee, C. Yang, M. Buchholz, A. Nefedov, S. Heissler, C. Carbogno, M. Scheffler, P. Rinke and C. Wöll: Evidence for photogenerated intermediate hole polarons in ZnO. Nature Communications 6 (4), 6901 (2015).
2014
Journal Article
Carbogno, C., C.G. Levi, C.G.V. de Walle and M. Scheffler: Ferroelastic switching of doped zirconia: Modeling and understanding from first principles. Physical Review B 90 (14), 144109 (2014).
2011
Journal Article
Estreicher, S.K., D.J. Backlund, C. Carbogno and M. Scheffler: Activation Energies for Diffusion of Defects in Silicon: The Role of the Exchange-Correlation Functional. Angewandte Chemie International Edition 50 (43), 10221–10225 (2011).
Journal Article
Gibbons, T.M., B. Kang, S.K. Estreicher and C. Carbogno: Thermal conductivity of Si nanostructures containing defects: Methodology, isotope effects, and phonon trapping. Physical Review B 84, 035317 (2011).

Book Chapter (4)

2021
Book Chapter
Carbogno, C., V. Blum, S. Kokott, H. Lederer, A. Marek, F. Merz, M. Rampp, X. Ren and M. Scheffler: Preparing electronic-structure theory for the exascale. In: High-Performance Computing and Data Science in the Max Planck Society. Max Planck Computing and Data Facility, Garching, 47–49 (2021).
Book Chapter
Carbogno, C. and M. Scheffler: Identifying novel thermal insulators in material space. In: High-Performance Computing and Data Science in the Max Planck Society. Max Planck Computing and Data Facility, Garching, 42–43 (2021).
2020
Book Chapter
Bungartz, H.-J., C. Carbogno, M. Galgon, T. Huckle, S. Köcher, H.-H. Kowalski, P. Kus, B. Lang, H. Lederer, V. Manin, A. Marek, K. Reuter, M. Rippl, M. Scheffler and C. Scheurer: ELPA: A parallel solver for the generalized eigenvalue problem. In: Parallel Computing: Technology Trends. (Advances in Parallel Computing). IOS Press, Amsterdam, 647–668 (2020).
2013
Book Chapter
Carbogno, C., A. Groß, J. Meyer and K. Reuter: O2 Adsorption Dynamics at Metal Surfaces: Non-adiabatic Effects, Dissociation and Dissipation. In: Dynamics of Gas-Surface Interactions: Atomic-level Understanding of Scattering Processes at Surfaces. (Eds.): R. Díez Muiño and H.F. Busnengo. (Springer Series in Surface Sciences, Vol. 50). Springer, Berlin, Heidelberg, 389–419 (2013).

Conference Paper (1)

2022
Conference Paper
Seiler, H., D. Zahn, M. Zacharias, P.-N. Hildebrandt, T. Vasileiadis, Y.W. Windsor, Y. Qi, C. Carbogno, D. Claudia, R. Ernstorfer and F. Caruso: Momentum-resolved non-radiative energy flow in photoexcited black phosphorus. In: Optics Infobase Conference Papers.in press

Talk (83)

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