Publications

2024

• Meixner, M., Menke, H., Klett, M., Heinzelmann, S., Andergassen, S., Hansmann, P., & Schäfer, T. (2024). Mott transition and pseudogap of the square-lattice Hubbard model: Results from center-focused cellular dynamical mean-field theory. SciPost Physics, 16(2). https://doi.org/10.21468/SciPostPhys.16.2.059
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• Puphal, P., Reiss, P., Enderlein, N., Wu, Y.M., Khaliullin, G., Sundaramurthy, V.,... Hepting, M. (2024). Unconventional Crystal Structure of the High-Pressure Superconductor La3Ni2 O7. Physical Review Letters, 133(14). https://doi.org/10.1103/PhysRevLett.133.146002
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2023

• Amorese, A., Hansmann, P., Marino, A., Körner, P., Willers, T., Walters, A.,... Severing, A. (2023). Orbital selective coupling in CeRh3 B2: Coexistence of high Curie and high Kondo temperatures. Physical Review B, 107(11). https://doi.org/10.1103/PhysRevB.107.115164
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• Suzuki, H., Wang, L., Bertinshaw, J., Strand, H.U., Käser, S., Krautloher, M.,... Keimer, B. (2023). Distinct spin and orbital dynamics in Sr2RuO4. Nature Communications, 14(1). https://doi.org/10.1038/s41467-023-42804-3
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• Wagner, N., Crippa, L., Amaricci, A., Hansmann, P., Klett, M., König, E.J.,... Sangiovanni, G. (2023). Mott insulators with boundary zeros. Nature Communications, 14(1). https://doi.org/10.1038/s41467-023-42773-7
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2022

• Klett, M., Hansmann, P., & Schäfer, T. (2022). Magnetic Properties and Pseudogap Formation in Infinite-Layer Nickelates: Insights From the Single-Band Hubbard Model. Frontiers in Physics, 10. https://doi.org/10.3389/fphy.2022.834682
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• Käser, S., Strand, H.U., Wentzell, N., Georges, A., Parcollet, O., & Hansmann, P. (2022). Interorbital singlet pairing in Sr2RuO4: A Hund's superconductor. Physical Review B, 105(15). https://doi.org/10.1103/PhysRevB.105.155101
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• Ortiz, R.A., Puphal, P., Klett, M., Hotz, F., Kremer, R.K., Trepka, H.,... Hepting, M. (2022). Magnetic correlations in infinite-layer nickelates: An experimental and theoretical multimethod study. Physical Review Research, 4(2). https://doi.org/10.1103/PhysRevResearch.4.023093
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• Stierhof, J., Kuehn, S., Winter, M., Micke, P., Steinbruegge, R., Shah, C.,... Leutenegger, M.A. (2022). Correction to: A new benchmark of soft X-ray transition energies of Ne, CO2, and SF6: paving a pathway towards ppm accuracy (The European Physical Journal D, (2022), 76, 3, (38), 10.1140/epjd/s10053-022-00355-0). European Physical Journal D, 76(3). https://doi.org/10.1140/epjd/s10053-022-00379-6
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• Stierhof, J., Kühn, S., Winter, M., Micke, P., Steinbrügge, R., Shah, C.,... Leutenegger, M.A. (2022). A new benchmark of soft X-ray transition energies of Ne , CO 2 , and SF 6 : paving a pathway towards ppm accuracy. European Physical Journal D, 76(3). https://doi.org/10.1140/epjd/s10053-022-00355-0
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2021

• Cao, X., Lu, Y., Hansmann, P., & Haverkort, M.W. (2021). Tree tensor-network real-time multiorbital impurity solver: Spin-orbit coupling and correlation functions in Sr2RuO4. Physical Review B, 104(11). https://doi.org/10.1103/PhysRevB.104.115119
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• Ortiz, R.A., Menke, H., Misjak, F., Mantadakis, D.T., Fuersich, K., Schierle, E.,... Benckiser, E. (2021). Superlattice approach to doping infinite-layer nickelates. Physical Review B, 104(16). https://doi.org/10.1103/PhysRevB.104.165137
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• Schaefer, T., Wentzell, N., Simkovic, F., He, Y.-Y., Hille, C., Klett, M.,... Georges, A. (2021). Tracking the Footprints of Spin Fluctuations: A MultiMethod, MultiMessenger Study of the Two-Dimensional Hubbard Model. Physical Review X, 11(1). https://doi.org/10.1103/PhysRevX.11.011058
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• Suyolcu, Y.E., Fürsich, K., Hepting, M., Zhong, Z., Lu, Y., Wang, Y.,... Benckiser, E. (2021). Control of the metal-insulator transition in NdNiO3 thin films through the interplay between structural and electronic properties. Physical Review Materials, 5(4). https://doi.org/10.1103/PhysRevMaterials.5.045001
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• Wietek, A., Rossi, R., Simkovic, F., Klett, M., Hansmann, P., Ferrero, M.,... Georges, A. (2021). Mott Insulating States with Competing Orders in the Triangular Lattice Hubbard Model. Physical Review X, 11(4). https://doi.org/10.1103/PhysRevX.11.041013
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2020

• Amorese, A., Sundermann, M., Leedahl, B., Marino, A., Takegami, D., Gretarsson, H.,... Severing, A. (2020). From antiferromagnetic and hidden order to Pauli paramagnetism in UM2Si2 compounds with 5f electron duality. Proceedings of the National Academy of Sciences of the United States of America, 117(48), 30220-30227. https://doi.org/10.1073/pnas.2005701117
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• Feldmaier, T., Strobel, P., Schmid, M., Hansmann, P., & Daghofer, M. (2020). Excitonic magnetism at the intersection of spin-orbit coupling and crystal-field splitting. Physical Review Research, 2(3). https://doi.org/10.1103/PhysRevResearch.2.033201
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• Klett, M., Wentzell, N., Schafer, T., Simkovic, F., Parcollet, O., Andergassen, S., & Hansmann, P. (2020). Real-space cluster dynamical mean-field theory: Center-focused extrapolation on the one- and two particle-levels. Physical Review Research, 2(3). https://doi.org/10.1103/PhysRevResearch.2.033476
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• Takegami, D., Kasinathan, D., Wolff, K.K., Altendorf, S.G., Chang, C.F., Hoefer, K.,... Tjeng, L.H. (2020). Charge-transfer energy in iridates: A hard x-ray photoelectron spectroscopy study. Physical Review B, 102(4). https://doi.org/10.1103/PhysRevB.102.045119
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2019

• Bertinshaw, J., Gurung, N., Jorba, P., Liu, H., Schmid, M., Mantadakis, D.T.,... Kim, B.J. (2019). Unique Crystal Structure of Ca2RuO4 in the Current Stabilized Semimetallic State. Physical Review Letters, 123(13). https://doi.org/10.1103/PhysRevLett.123.137204
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• Guo, H., Zhao, L., Schmidt, W., Fernandez-Diaz, M.T., Becker, C., Melendez-Sans, A.,... Komarek, A.C. (2019). Multiferroic properties of melanothallite Cu2OCl2. Physical Review Materials, 3(12). https://dx.doi.org/10.1103/PhysRevMaterials.3.124405
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• Lu, Y., Cao, X., Hansmann, P., & Haverkort, M.W. (2019). Natural-orbital impurity solver and projection approach for Green's functions. Physical Review B, 100(11). https://doi.org/10.1103/PhysRevB.100.115134
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2018

• Cao, X., Ayral, T., Zhong, Z., Parcollet, O., Manske, D., & Hansmann, P. (2018). Chiral d-wave superconductivity in a triangular surface lattice mediated by long-range interaction. Physical Review B, 97(15). https://doi.org/10.1103/PhysRevB.97.155145
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• Hepting, M., Green, R.J., Zhong, Z., Bluschke, M., Suyolcu, Y.E., Macke, S.,... Benckiser, E. (2018). Complex magnetic order in nickelate slabs. Nature Physics, 14(11), 1097-+. https://doi.org/10.1038/s41567-018-0218-5
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2017

• Liao, Z., Gauquelin, N., Green, R.J., Macke, S., Gonnissen, J., Thomas, S.,... Rijnders, G. (2017). Thickness Dependent Properties in Oxide Heterostructures Driven by Structurally Induced Metal-Oxygen Hybridization Variations. Advanced Functional Materials, 27(17). https://doi.org/10.1002/adfm.201606717
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• Lu, Y., Zhong, Z., Haverkort, M.W., & Hansmann, P. (2017). Origins of bond and spin order in rare-earth nickelate bulk and heterostructures. Physical Review B, 95(19). https://doi.org/10.1103/PhysRevB.95.195117
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• Seth, P., Hansmann, P., Van Roekeghem, A., Vaugier, L., & Biermann, S. (2017). Towards a First-Principles Determination of Effective Coulomb Interactions in Correlated Electron Materials: Role of Intershell Interactions. Physical Review Letters, 119(5). https://doi.org/10.1103/PhysRevLett.119.056401
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• Xiao, X., Widenmeyer, M., Xie, W., Zou, T., Yoon, S., Scavini, M.,... Weidenkaff, A. (2017). Tailoring the structure and thermoelectric properties of BaTiO3 via Eu2+ substitution. Physical Chemistry Chemical Physics, 19(21), 13469-13480. https://doi.org/10.1039/c7cp00020k
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• Zhong, Z., & Hansmann, P. (2017). Band Alignment and Charge Transfer in Complex Oxide Interfaces. Physical Review X, 7(1). https://doi.org/10.1103/PhysRevX.7.011023
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2016

• Hansmann, P., Ayral, T., Tejeda, A., & Biermann, S. (2016). Uncertainty principle for experimental measurements: Fast versus slow probes. Scientific Reports, 6. https://doi.org/10.1038/srep19728
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• Praetorius, C., Zinner, M., Hansmann, P., Haverkort, M.W., & Fauth, K. (2016). Exploring small energy scales with x-ray absorption and dichroism. Physical Review B, 93(16). https://doi.org/10.1103/PhysRevB.93.165107
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• Zhong, Z., & Hansmann, P. (2016). Tuning the work function in transition metal oxides and their heterostructures. Physical Review B, 93(23). https://doi.org/10.1103/PhysRevB.93.235116
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2014

• Hansmann, P., Parragh, N., Toschi, A., Sangiovanni, G., & Held, K. (2014). Importance of d-p Coulomb interaction for high T-C cuprates and other oxides. New Journal of Physics, 16. https://doi.org/10.1088/1367-2630/16/3/033009
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• Haverkort, M.W., Sangiovanni, G., Hansmann, P., Toschi, A., Lu, Y., & Macke, S. (2014). Bands, resonances, edge singularities and excitons in core level spectroscopy investigated within the dynamical mean-field theory. EPL - Europhysics Letters, 108(5). https://doi.org/10.1209/0295-5075/108/57004
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• Pourovskii, L.V., Hansmann, P., Ferrero, M., & Georges, A. (2014). Theoretical Prediction and Spectroscopic Fingerprints of an Orbital Transition in CeCu2Si2. Physical Review Letters, 112(10). https://doi.org/10.1103/PhysRevLett.112.106407
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• Rezaei, N., Hansmann, P., Bahramy, M.S., & Arita, R. (2014). Mechanism of charge transfer/disproportionation in LnCu(3)Fe(4)O(12) (Ln = lanthanides). Physical Review B, 89(12). https://doi.org/10.1103/PhysRevB.89.125125
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2013

• Hansmann, P., Ayral, T., Vaugier, L., Werner, P., & Biermann, S. (2013). Long-Range Coulomb Interactions in Surface Systems: A First-Principles Description within Self-Consistently Combined GW and Dynamical Mean-Field Theory. Physical Review Letters, 110(16). https://doi.org/10.1103/PhysRevLett.110.166401
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• Hansmann, P., Toschi, A., Sangiovanni, G., Saha-Dasgupta, T., Lupi, S., Marsi, M., & Held, K. (2013). Mott-Hubbard transition in V2O3 revisited. physica status solidi (b), 250(7), 1251-1264. https://doi.org/10.1002/pssb.201248476
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• Hansmann, P., Vaugier, L., Jiang, H., & Biermann, S. (2013). What about U on surfaces? Extended Hubbard models for adatom systems from first principles. Journal of Physics: Condensed Matter, 25(9). https://doi.org/10.1088/0953-8984/25/9/094005
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• Parragh, N., Sangiovanni, G., Hansmann, P., Hummel, S., Held, K., & Toschi, A. (2013). Effective crystal field and Fermi surface topology: A comparison of d- and dp-orbital models. Physical Review B, 88(19). https://doi.org/10.1103/PhysRevB.88.195116
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2012

• Hansmann, P., Haverkort, M.W., Toschi, A., Sangiovanni, G., Rodolakis, F., Rueff, J.P.,... Held, K. (2012). Atomic and itinerant effects at the transition-metal x-ray absorption K pre-edge exemplified in the case of V2O3. Physical Review B, 85(11). https://doi.org/10.1103/PhysRevB.85.115136
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• Toschi, A., Arita, R., Hansmann, P., Sangiovanni, G., & Held, K. (2012). Quantum dynamical screening of the local magnetic moment in Fe-based superconductors. Physical Review B, 86(6). https://doi.org/10.1103/PhysRevB.86.064411
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2011

• Rodolakis, F., Rueff, J.-P., Sikora, M., Alliot, I., Itie, J.-P., Baudelet, F.,... Marsi, M. (2011). Evolution of the electronic structure of a Mott system across its phase diagram: X-ray absorption spectroscopy study of (V1-xCrx)(2)O-3. Physical Review B, 84(24). https://doi.org/10.1103/PhysRevB.84.245113
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• Uchida, M., Ishizaka, K., Hansmann, P., Kaneko, Y., Ishida, Y., Yang, X.,... Tokura, Y. (2011). Pseudogap of Metallic Layered Nickelate R2-xSrxNiO4 (R = Nd, Eu) Crystals Measured Using Angle-Resolved Photoemission Spectroscopy. Physical Review Letters, 106(2). https://doi.org/10.1103/PhysRevLett.106.027001
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• Uchida, M., Ishizaka, K., Hansmann, P., Yang, X., Sakano, M., Miyawaki, J.,... Tokura, Y. (2011). Orbital characters of three-dimensional Fermi surfaces in Eu2-xSrxNiO4 as probed by soft-x-ray angle-resolved photoemission spectroscopy. Physical Review B, 84(24). https://doi.org/10.1103/PhysRevB.84.241109
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2010

• Hansmann, P., Arita, R., Toschi, A., Sakai, S., Sangiovanni, G., & Held, K. (2010). Dichotomy between Large Local and Small Ordered Magnetic Moments in Iron-Based Superconductors. Physical Review Letters, 104(19). https://doi.org/10.1103/PhysRevLett.104.197002
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• Hansmann, P., Toschi, A., Yang, X., Andersen, O.K., & Held, K. (2010). Electronic structure of nickelates: From two-dimensional heterostructures to three-dimensional bulk materials. Physical Review B, 82(23). https://doi.org/10.1103/PhysRevB.82.235123
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• Lupi, S., Baldassarre, L., Mansart, B., Perucchi, A., Barinov, A., Dudin, P.,... Marsi, M. (2010). A microscopic view on the Mott transition in chromium-doped V2O3. Nature Communications, 1. https://doi.org/10.1038/ncomms1109
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• Rodolakis, F., Hansmann, P., Rueff, J.-P., Toschi, A., Haverkort, M.W., Sangiovanni, G.,... Marsi, M. (2010). Inequivalent Routes across the Mott Transition in V2O3 Explored by X-Ray Absorption. Physical Review Letters, 104(4). https://doi.org/10.1103/PhysRevLett.104.047401
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• Toschi, A., Hansmann, P., Sangiovanni, G., Saha-Dasgupta, T., Andersen, O.K., & Held, K. (2010). Spectral properties of the Mott Hubbard insulator (Cr0.011V0.989)(2)O-3 calculated by LDA plus DMFT. In INTERNATIONAL CONFERENCE ON MAGNETISM (ICM 2009). Karlsruhe, DE: BRISTOL: IOP PUBLISHING LTD.
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2009

• Hansmann, P., Yang, X., Toschi, A., Khaliullin, G., Andersen, O.K., & Held, K. (2009). Turning a Nickelate Fermi Surface into a Cupratelike One through Heterostructuring. Physical Review Letters, 103(1). https://doi.org/10.1103/PhysRevLett.103.016401
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• Perucchi, A., Marini, C., Valentini, M., Postorino, P., Sopracase, R., Dore, P.,... Lupi, S. (2009). Pressure and alloying effects on the metal to insulator transition in NiS2-xSex studied by infrared spectroscopy. Physical Review B, 80(7). https://doi.org/10.1103/PhysRevB.80.073101
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• Rodolakis, F., Hansmann, P., Rueff, J.-P., Toschi, A., Haverkort, M.W., Sangiovanni, G.,... Marsi, M. (2009). Electronic correlations in V2O3 studied with K-edge X-ray absorption spectroscopy. In 14TH INTERNATIONAL CONFERENCE ON X-RAY ABSORPTION FINE STRUCTURE (XAFS14), PROCEEDINGS. Camerino, IT: BRISTOL: IOP PUBLISHING LTD.
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2008

• Hansmann, P., Severing, A., Hu, Z., Haverkort, M.W., Chang, C.F., Klein, S.,... Tjeng, L.H. (2008). Determining the crystal-field ground state in rare earth heavy fermion materials using soft-X-ray absorption spectroscopy. Physical Review Letters, 100(6). https://doi.org/10.1103/PhysRevLett.100.066405
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