Publications
Code
LinReTraCe: a package for computing transport properties of interacting solids, such as the resistivity, the coefficients of Hall, Seebeck, Nernst (arxiv:2206.06097).
AbinitioDGA: an implementation of DΓA for calculating materials' electronic structures (Comput. Phys. Commun. 245, 106847 (2019)).
Press
Palladium ist die neue Hoffnung der Supraleiter-Forschung (in German)
Palladium oxides could make better superconductors (physics world)
Boosting thermopower of oxides via artificially laminated metal/insulator heterostructure
Breaking Trade-Off Problem That Limits Thermoelectric Conversion Efficiency of Waste Heat
Habilitation thesis
Realistic simulations of correlated materials - part published as Invited Review in J. Phys.: Condens. Matter 30, 183001 (2018)
Supervised student projects
For a list of student projects supervised, please see Teaching.
Weyl nodes in Ce3Bi4Pd3 revealed by dynamical mean-field theory.
M. Braß, J. M. Tomczak, K.Held. arXiv:2404.17425Timescale of local moment screening across and above the Mott transition. L. Gaspard and J. M. Tomczak. arXiv:2112.02881
Realistic many-body theory of Kondo insulators: Renormalizations and fluctuations in Ce3Bi4Pt3. J. M. Tomczak. arXiv:1904.01346
➟ 66 peer-reviewed publications (as of 15. July 2024)
Strain-Tuned Magnetic Frustration in a Square Lattice J1-J2 Material. I. Biało, L. Martinelli, G. De Luca, P. Worm, A. Drewanowski, J. Choi, M. Garcia-Fernandez, S. Agrestini, Ke-Jin Zhou, L. Guo, C. B. Eom, J. M. Tomczak, K. Held, M. Gibert, Qisi Wang, J. Chang. Comm. Phys. 7, 230 (2024). arXiv:2306.05828
Spin fluctuations sufficient to mediate superconductivity in nickelates. P. Worm, Q. Wang, M. Kitatani, I. Biało, Q. Gao, X. Ren, J. Choi, D. Csontosová, K.-J. Zhou, X. Zhou, Z. Zhu, L. Si, J. Chang, J. M. Tomczak, K. Held. Phys. Rev. B 109, 235126 (2024). arXiv:2312.08260
Unconventional superconductivity without doping: infinite-layer nickelates under pressure. S. Di Cataldo, P. Worm, J. M. Tomczak, L. Si, K. Held. Nat. Commun 5, 3952 (2024). arXiv:2311.06195
Localized f-electron magnetism in the semimetal Ce3Bi4Au3. M. O. Ajeesh, S. K. Kushwaha, S. M. Thomas, J. D. Thompson, M. K. Chan, N. Harrison, J. M. Tomczak, P. F. S. Rosa. Editor's Suggestion, Phys. Rev. B 108, 245125 (2023). arXiv:2309.02559
No superconductivity in Pb9Cu1(PO4)6O found in orbital and spin fluctuation exchange calculations. N. Witt, L. Si, J. M. Tomczak, K. Held, T. Wehling. SciPost Phys. 15, 197 (2023). arXiv:2308.07261
Pb10−xCux(PO4)6O: a Mott or charge transfer insulator in need of further doping for (super)conductivity. L. Si, M. Wallerberger, A. Smolyanyuk, S. di Cataldo, J. M. Tomczak, K. Held. J. Phys.: Condens. Matter 36 065601 (2024). arxiv:2308.04427
Local symmetry groups for arbitrary wavevectors. E. Maggio, A. Smolyanyuk, J.M. Tomczak. J. Phys. A: Math. Theor. 56, 455307 (2023). arxiv:2310.13568
LinReTraCe: The Linear Response Transport Centre. M. Pickem, E. Maggio, J. M. Tomczak. SciPost Phys. Codebases 16 (2023). arxiv:2206.06097
Coulomb engineering of two-dimensional Mott materials. E. G. C. P. van Loon, M. Schüler, D. Springer, G. Sangiovanni, J. M. Tomczak, T. O. Wehling. npj 2D Materials and Applications 7, 47 (2023). arXiv:2001.01735
Resistance saturation in semi-conducting polyacetylene molecular wires. A. Valli and J. M. Tomczak. J Comput Electron 22, 1363 (2023), Special Issue “Ab Initio Simulations of Electron and Phonon Transport in Nanostructures”, preprint.
Optimizing superconductivity: from cuprates via nickelates to palladates. M. Kitatani, L. Si, P. Worm, J. M. Tomczak, R. Arita, K. Held. Phys. Rev. Lett. 130, 16602 (2023). arXiv:2207.14038
See also Synopsis in Physics 16, s54 (April, 2023)Relation between crystal structure and optical properties in the correlated blue pigment YIn1−xMnxO3. V. Ransmayr, J. M. Tomczak, A. Galler, Phys. Rev. Materials 6, 105003 (2022). arXiv:2208.03997
Particle-hole asymmetric lifetimes promoted by spin and orbital fluctuations in SrVO3 monolayers. M. Pickem, J. M. Tomczak, K. Held. Phys. Rev. Research 4, 033253 (2022). arXiv:2008.12227
Correlations tune the electronic structure of pentalayer nickelates into the superconducting regime. P. Worm, L. Si, M. Kitatani, R. Arita, J. M. Tomczak, K. Held. Phys. Rev. Materials 6, L091801 (2022). arXiv:2111.12697
Prototypical many-body signatures in transport properties of semiconductors. M. Pickem, E. Maggio, J. M. Tomczak. Phys. Rev. B 105, 085139 (2022). arxiv:2112.07604
Hidden, one-dimensional, strongly nested, and almost half-filled Fermi surface in Ba2CuO3+y superconductors. P. Worm, M. Kitatani, J. M. Tomczak, L. Si, K. Held. Phys. Rev. B 105, 085110 (2022). arXiv:2107.11897
Phase diagram of nickelate superconductors calculated by dynamical vertex approximation. K. Held, L. Si, P. Worm, O. Janson, R. Arita, Z. Zhong, J. M. Tomczak, M. Kitatani. Front. Phys. 9, 813483 (2022). arXiv:2201.01220
Toward functionalized ultrathin oxide films: the impact of surface apical oxygen. J. Gabel, M. Pickem, P. Scheiderer, L. Dudy, B. Leikert, M. Fuchs, M. Stübinger, M. Schmitt, J. Küspert, G. Sangiovanni, J. M. Tomczak, K. Held, T.-L. Lee, R. Claessen, M. Sing. Adv. Electron. Mater. 2021, 2101006 (2021). arXiv:2202.10778
Large phonon drag thermopower boosted by massive electrons and phonon leaking in LaAlO3 / LaNiO3 / LaAlO3 heterostructure. M. Kimura, X. He, T. Katase, T. Tadano, J. M. Tomczak, M. Minohara, R. Aso, H. Yoshida, K. Ide, S. Ueda, H. Hiramatsu, H. Kumigashira, H. Hosono, T. Kamiya. Nano Lett. 21, 9240 (2021)
Resistivity saturation in Kondo insulators. M. Pickem, E. Maggio, J. M. Tomczak. Communications Physics 4, 226 (2021). arxiv:2008.05846
Breaking of thermopower-conductivity trade-off in LaTiO3 film near Mott insulator to metal transition. T. Katase, X. He, T. Tadano, J. M. Tomczak, T. Onozato, K. Ide, B. Feng, T. Tohei, H. Hiramatsu, H. Ohta, Y. Ikuhara, H. Hosono, T. Kamiya. Advanced Science 8, 2102097 (2021).
Designing a mechanically driven spin-crossover molecular switch via organic embedding. S. Bhandary, J. M. Tomczak, A. Valli. Nanoscale Adv. 3, 4990 (2021). arXiv:2105.08699
Pitfalls and solutions for perovskite transparent conductors. L. Si, J. Kaufmann, Z. Zhong, J. M. Tomczak, K. Held. Phys. Rev. B 4, L041112 (2021). arXiv:2009.14000
Zoology of spin and orbital fluctuations in ultrathin oxide films. M. Pickem, J. Kaufmann, K. Held, J. M. Tomczak. Phys. Rev. B 104, 024307 (2021). arXiv:2201.07058
Anisotropy of electronic correlations: On the applicability of local theories to layered materials. B. Klebel-Knobloch, T. Schäfer, A. Toschi, J. M. Tomczak. Phys. Rev. B. 103, 045121 (2021). arXiv:2005.01369
Topotactic hydrogen in nickelate superconductors and akin infinite-layer oxides ABO2. L. Si, W. Xiao, J. Kaufmann, J. M. Tomczak, Y. Lu, Z. Zhong, K. Held. Phys. Rev. Lett. 124, 166402 (2020). arXiv:1911.06917
Isoelectronic tuning of heavy fermion systems: Proposal to synthesize Ce3Sb4Pd3. J. M. Tomczak. Phys. Rev. B 101, 035116 (2020). arXiv:1908.00840
The AbinitioDΓA Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory. A. Galler, P. Thunström, J. Kaufmann, M. Pickem, J. M. Tomczak, K. Held. Computer Physics Communications 245, 106847 (2019). arXiv:1710.06651
Strain-engineering Mott-insulating La2CuO4. O. Ivashko, M. Horio, W. Wan, N. B. Christensen, D. E. McNally, E. Paris, Y. Tseng, N. E. Shaik, H. M. Rønnow, H. I. Wei, C. Adamo, C. Lichtensteiger, M. Gibert, M. R. Beasley, K. M. Shen, J. M. Tomczak, T. Schmitt, J. Chang. Nat. Commun. 10, 786 (2019). arXiv:1805.07173
Strain-induced tuning of the electronic Coulomb interaction in 3d transition metal oxide perovskites. B. Kim, P. Liu, J. M. Tomczak, C. Franchini. Phys. Rev. B 98, 075130 (2018). arXiv:1806.05503
Thermoelectricity in correlated narrow-gap semiconductors. J. M. Tomczak. Topical Review: J. Phys.: Condens. Matter 30 183001 (2018). arXiv:1802.07220
Towards ab initio calculations with the dynamical vertex approximation. A. Galler, J. Kaufmann, P. Gunacker, M. Pickem, P. Thunström, J. M. Tomczak, K. Held. J. Phys. Soc. Jpn. 87, 041004 (2018) in Special Topics "New ab inito approaches to explore emergent phenomena in quantum matters". arXiv:1709.02663
Mass enhancements and band shifts in strongly hole overdoped Fe-based pnictide superconductors: KFe2As2 and CsFe2As2. S.-L. Drechsler, H. Rosner, V. Grinenko, S. Aswartham, I. Morozov, M. Liu, A. Boltalin, K. Kihou, C. H. Lee, T. Kim, D. Evtushinsky, J. M. Tomczak, S. Johnston, S. Borisenko. J. Supercond. Nov. Magn. 1557-1939 (2018).
Constraints on the total coupling strength to bosons in the iron based superconductors. S.-L. Drechsler, S. Johnston, V. Grinenko, J. M. Tomczak, H. Rosner. Phys. Status Solidi B 254, 1700006 (2017). doi:10.1002/pssb.201700006
Realizing double Dirac particles in the presence of electronic interactions. D. Di Sante, A. Hausoel, P. Barone, J. M. Tomczak, G. Sangiovanni, R. Thomale. Phys. Rev. B 96, 121106(R) (2017). arXiv:1703.10087
Merging GW with DMFT and non-local correlations beyond. J. M. Tomczak, P. Liu, A. Toschi, G. Kresse, K. Held. Eur. Phys. J. Special Topics 226, 2565 (2017). arXiv:1703.08446
Ab initio dynamical vertex approximation. A. Galler, P. Thunstrom, P. Gunacker, J. M. Tomczak, K. Held. Phys. Rev. B 95, 115107 (2017). arXiv:1610.02998
A route to room temperature ferromagnetic ultrathin SrRuO3 films. L. Si, Z. Zhong, J. M. Tomczak, K. Held. Phys. Rev. B 92, 041108(R) (2015). arXiv:1503.00640
Large Seebeck effect by charge-mobility engineering. P. Sun, B. Wei, J. Zhang, J. M. Tomczak, A. M. Strydom, M. Sondergaard, B. B. Iversen, F. Steglich. Nat. Commun. 6, 7575 (2015). arXiv:1503.09015
Electronics with correlated oxides: SrVO3/SrTiO3 as a Mott transistor. Z. Zhong, M. Wallerberger, J. M. Tomczak, C. Taranto, N. Parragh, A. Toschi, G. Sangiovanni, K. Held. Phys. Rev. Lett. 114, 246401 (2015). arXiv:1312.5989
Unified picture for the colossal thermopower compound FeSb2. M. Battiato, J. M. Tomczak, Z. Zhong, K. Held. Phys. Rev. Lett. 114, 236603 (2015). arXiv:1505.02946
Protected Fe valence in quasi-two-dimensional alpha-FeSi2. W. Miiller, J. M. Tomczak, J. W. Simonson, G. Smith, G. Kotliar, M. C. Aronson. J. Phys.: Condens. Matter 27 175601 (2015). arXiv:1408.3606
Separability of dynamical and non-local correlations in three dimensions. T. Schäfer, A. Toschi, J. M. Tomczak. Phys. Rev. B 91, 121107(R) (2015). arXiv:1411.5686
QSGW+DMFT: an electronic structure scheme for the iron pnictides and beyond. J. M. Tomczak. Journal of Physics: Conference Series 592, 012055 (2015). arXiv:1411.5180
Dynamical correlations and screened exchange on the experimental bench: spectral properties of the cobalt pnictide BaCo2As2. A. van Roekeghem, T. Ayral, J. M. Tomczak, M. Casula, N. Xu, H. Ding, M. Ferrero, O. Parcollet, H. Jiang, S. Biermann. Phys. Rev. Lett. 113, 266403 (2014). arXiv:1408.3136
Asymmetry in band widening and quasiparticle lifetimes in SrVO3: Competition between screened exchange and local correlations from combined GW and dynamical mean-field theory GW+DMFT. J. M. Tomczak, M. Casula, T. Miyake, S. Biermann. Phys. Rev. B 90 (16) 165138 (2014). arXiv:1312.7546
Electronic correlations in FeGa3 and the effect of hole doping on its magnetic properties. M. B. Gamza, J. M. Tomczak, C. Brown, A. Puri, G. Kotliar, M. C. Aronson. Phys. Rev. B 89 (19), 195102 (2014). arXiv:1405.2369
Highly dispersive electron relaxation and colossal thermoelectricity in the correlated semiconductor FeSb2. P. Sun, W. Xu, J. M. Tomczak, G. Kotliar, M. Sondergaard, B. B. Iversen, F. Steglich. Phys. Rev. B 88 (24), 245203 (2013). arXiv:1309.3048
Rare-earth vs. heavy metal pigments and their colors from first principles. J. M. Tomczak, L. V. Pourovskii, L. Vaugier, A. Georges, S. Biermann. Proc. Natl. Acad. Sci. USA 110 (3), 904 (2013). arXiv:1301.0630
Thermopower of the correlated narrow gap semiconductor FeSi and comparison to RuSi. J. M. Tomczak, K. Haule, G. Kotliar. In Veljko Zlatic and Alex Hewson, editors, New Materials for Thermoelectric Applications: Theory and Experiment, NATO Science for Peace and Security Series B: Physics and Biophysics, (pp. 45-57) (Springer Netherlands, 2013). ISBN 978-94-007-4984-9. arXiv:1210.3379
Combined GW and dynamical mean-.field theory: Dynamical screening effects in transition metal oxides. J. M. Tomczak, M. Casula, T. Miyake, F. Aryasetiawan, S. Biermann. EPL (Europhysics Letters) 100 (6), 67001 (2012). EPL editor's choice. arXiv:1210.6580
Many-body effects in iron pnictides and chalcogenides: Nonlocal versus dynamic origin of effective masses. J. M. Tomczak, M. van Schilfgaarde, and G. Kotliar. Phys. Rev. Lett. 109, 237010 (2012). arXiv:1209.2213
Signatures of electronic correlations in iron silicide. J. M. Tomczak, K. Haule, and G. Kotliar. Proc. Natl. Acad. Sci. USA 109 (9), 3243 (2012). arXiv:1109.6561.
Thermopower of correlated semiconductors: Application to FeAs2 and FeSb2. J. M. Tomczak, K. Haule, T. Miyake, A. Georges, and G. Kotliar. Phys. Rev. B 82 (8), 085104 (2010). arXiv:1006.0564
Realistic many-body models for manganese monoxide under pressure. J. M. Tomczak, T. Miyake, and F. Aryasetiawan. Phys. Rev. B 81 (11), 115116 (2010). arXiv:1006.0565
Momentum-resolved spectroscopy of correlated metals: A view from dynamical mean field theory. J. M. Tomczak, A. I. Poteryaev, and S. Biermann. Comptes Rendus Physique 10 (6), 537 (2009). ISSN 1631-0705
Effective Coulomb interactions in solids under pressure. J. M. Tomczak, T. Miyake, R. Sakuma, and F. Aryasetiawan. Phys. Rev. B 79 (23), 235133 (2009). arXiv:0906.4398.
Optical properties of correlated materials: Generalized Peierls approach and its application to VO2. J. M. Tomczak and S. Biermann. Phys. Rev. B 80 (8), 085117 (2009). arXiv:0904.3388
Optical properties of correlated materials - or why intelligent windows may look Dirty. J. M. Tomczak and S. Biermann. Phys. Status Solidi B (feature article) 246 (9), 1996 (2009). Scientific Highlight of the Month of the psi-k Network, no. 88 August 2008, arXiv:0907.1575
Materials design using correlated oxides: Optical properties of vanadium dioxide. J. M. Tomczak and S. Biermann. Europhys. Lett. 86 (3), 37004 (2009). arXiv:0807.4044
Downfolded self-energy of many-electron systems. F. Aryasetiawan, J. M. Tomczak, T. Miyake, R. Sakuma. Phys. Rev. Lett. 102 (17), 176402 (2009). arXiv:0806.3373.
Multi-orbital Effects in optical properties of vanadium sesquioxide. J. M. Tomczak and S. Biermann. J. Phys.: Condens. Matter 21 (064209) (2009). arXiv:0811.1098
Effective bandstructure in the insulating phase versus strong dynamical correlations in metallic VO2. J. M. Tomczak, F. Aryasetiawan, S. Biermann. Phys. Rev. B 78 (11), 115103 (2008). arXiv:0704.0902
Enhanced crystal-field splitting and orbital-selective coherence induced by strong correlations in V2O3. A. I. Poteryaev, J. M. Tomczak, S. Biermann, A. Georges, A. I. Lichtenstein, A. N. Rubtsov, T. Saha-Dasgupta, and O. K. Andersen. Phys. Rev. B 76 (8), 085127 (2007). arXiv:cond-mat/0701263
Effective band structure of correlated materials: the case of VO2. J. M. Tomczak and S. Biermann. J. Phys.: Condens. Matter 19 (36), 365206 (2007). arXiv:0811.1104
Infrared properties of electron-doped cuprates: Tracking normal-state gaps and quantum critical behavior in Pr2-xCexCuO4. A. Zimmers, et al. Europhys. Lett. 70 (2), 225 (2005). arXiv:condmat/0406204