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| 001 | 611888 | ||
| 005 | 20250715170857.0 | ||
| 024 | 7 | _ | |a 10.1103/PhysRevResearch.6.033068 |2 doi |
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| 100 | 1 | _ | |a Marino, Andrea |0 P:(DE-H253)PIP1089951 |b 0 |
| 245 | _ | _ | |a Quantifying the $U 5f$ covalence and degree of localization in U intermetallics |
| 260 | _ | _ | |a College Park, MD |c 2024 |b APS |
| 336 | 7 | _ | |a article |2 DRIVER |
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| 336 | 7 | _ | |a Journal Article |0 0 |2 EndNote |
| 520 | _ | _ | |a A procedure for quantifying the U 5𝑓 electronic covalency and degree of localization in U intermetallic compounds is presented. To this end, bulk sensitive hard and soft x-ray photoelectron spectroscopy were utilized in combination with density-functional theory (DFT) plus dynamical mean-field theory (DMFT) calculations. The energy dependence of the photoionization cross sections allows the disentanglement of the U 5𝑓 contribution to the valence band from the various other atomic subshells so the computational parameters in the DFT+DMFT can be reliably determined. Applying this method to UGa$_2$ and UB$_2$ as model compounds from opposite ends of the (de)localization range, we have achieved excellent simulations of the valence band and core-level spectra. The width in the distribution of atomic U 5𝑓 configurations contributing to the ground state, as obtained from the calculations, quantifies the correlated nature and degree of localization of the U 5𝑓. The findings permit answering the longstanding question why different spectroscopic techniques give seemingly different numbers for the U 5𝑓 valence in intermetallic U compounds. |
| 536 | _ | _ | |a 632 - Materials – Quantum, Complex and Functional Materials (POF4-632) |0 G:(DE-HGF)POF4-632 |c POF4-632 |f POF IV |x 0 |
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| 536 | _ | _ | |a DFG project 387555779 - Von versteckter bis antiferromagnetischer Ordnung mit großem Moment in URu2Si2: eine Röntgenstrahluntersuchung der 5f Besetzung und Wellenfunktionssymmetrie. (387555779) |0 G:(GEPRIS)387555779 |c 387555779 |x 2 |
| 536 | _ | _ | |a DFG project 521584902 - Systematische HAXPES-Studie von auf Übergangsmetallen/Pb/Bi basierenden Energiematerialien (521584902) |0 G:(GEPRIS)521584902 |c 521584902 |x 3 |
| 542 | _ | _ | |i 2024-07-15 |2 Crossref |u https://creativecommons.org/licenses/by/4.0/ |
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| 700 | 1 | _ | |a Christovam, Denise S. |0 P:(DE-H253)PIP1096035 |b 1 |
| 700 | 1 | _ | |a Takegami, Daisuke |0 P:(DE-H253)PIP1083998 |b 2 |
| 700 | 1 | _ | |a Falke, Johannes |0 0000-0003-4122-9381 |b 3 |
| 700 | 1 | _ | |a Carvalho, Miguel M. F. |0 0000-0002-2899-5340 |b 4 |
| 700 | 1 | _ | |a Okauchi, Takaki |0 0009-0006-9935-3560 |b 5 |
| 700 | 1 | _ | |a Chang, Chun-Fu |0 P:(DE-H253)PIP1010546 |b 6 |
| 700 | 1 | _ | |a Altendorf, Simone G. |0 0000-0002-4262-823X |b 7 |
| 700 | 1 | _ | |a Amorese, Andrea |0 P:(DE-H253)PIP1081355 |b 8 |
| 700 | 1 | _ | |a Sundermann, Martin |0 P:(DE-H253)PIP1028536 |b 9 |
| 700 | 1 | _ | |a Gloskovskii, Andrei |0 P:(DE-H253)PIP1007694 |b 10 |
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| 700 | 1 | _ | |a Keimer, Bernhard |0 P:(DE-H253)PIP1010052 |b 12 |
| 700 | 1 | _ | |a Andreev, Alexandr V. |0 0000-0002-4360-6665 |b 13 |
| 700 | 1 | _ | |a Havela, Ladislav |b 14 |
| 700 | 1 | _ | |a Leithe-Jasper, Andreas |0 0000-0001-7688-4365 |b 15 |
| 700 | 1 | _ | |a Severing, Andrea |0 P:(DE-H253)PIP1027074 |b 16 |e Corresponding author |
| 700 | 1 | _ | |a Kuneš, Jan |0 0000-0001-9682-7640 |b 17 |
| 700 | 1 | _ | |a Tjeng, Liu Hao |0 P:(DE-H253)PIP1029973 |b 18 |
| 700 | 1 | _ | |a Hariki, Atsushi |0 P:(DE-H253)PIP1107589 |b 19 |
| 773 | 1 | 8 | |a 10.1103/physrevresearch.6.033068 |b American Physical Society (APS) |d 2024-07-15 |n 3 |p 033068 |3 journal-article |2 Crossref |t Physical Review Research |v 6 |y 2024 |x 2643-1564 |
| 773 | _ | _ | |a 10.1103/PhysRevResearch.6.033068 |g Vol. 6, no. 3, p. 033068 |0 PERI:(DE-600)3004165-X |n 3 |p 033068 |t Physical review research |v 6 |y 2024 |x 2643-1564 |
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| 999 | C | 5 | |a 10.1103/RevModPhys.81.1551 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/RevModPhys.88.025006 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/1361-648X/ab5eba |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/1361-6633/acfb93 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/nphys1392 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1126/science.1259729 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/s41467-019-08497-3 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.124.076401 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.115.196403 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.82.033103 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1143/JPSJ.81.014703 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.114.236401 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.94.045121 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1073/pnas.1612791113 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.95.245103 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.7566/JPSJ.88.103701 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1126/sciadv.abc8709 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.7566/JPSJ.90.015002 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.103.125136 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.7566/JPSJ.91.083704 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.106.L241111 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/s42005-023-01220-1 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.108.045142 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1006/adnd.2000.0849 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1006/adnd.2002.0886 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/j.adt.2005.12.002 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 E. S. Makarov |y 1956 |2 Crossref |o E. S. Makarov 1956 |
| 999 | C | 5 | |1 A. V. Andreev |y 2001 |2 Crossref |o A. V. Andreev 2001 |
| 999 | C | 5 | |a 10.1016/0925-8388(92)90708-H |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 H. H. Hill |y 1970 |2 Crossref |t Plutonium 1970 and other Actinides |o H. H. Hill Plutonium 1970 and other Actinides 1970 |
| 999 | C | 5 | |a 10.1016/0304-8853(85)90091-5 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1143/JPSJ.69.2647 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1143/JPSJ.68.972 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.46.1023 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0925-8388(00)01210-X |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.99.035109 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.7566/JPSJ.85.062001 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.91.064405 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1063/1.5084611 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1063/1.5084678 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1107/S1600577519017119 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/RevModPhys.78.865 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/RevModPhys.68.13 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 P. Blaha |y 2001 |2 Crossref |t WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties |o P. Blaha WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties 2001 |
| 999 | C | 5 | |a 10.1016/j.cpc.2010.08.005 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/j.cpc.2014.05.003 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.97.076405 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/RevModPhys.83.349 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.84.075145 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.85.205106 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0370-1573(95)00074-7 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/j.elspec.2010.05.021 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.96.045111 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.102.085155 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.103.205146 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0092-640X(85)90016-6 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.102.246401 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.28.4315 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1080/00018738800101359 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0368-2048(93)02041-J |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0921-4526(96)00632-1 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/j.elspec.2016.02.002 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.126.217202 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1525/9780520906150 |1 R. D. Cowan |2 Crossref |9 -- missing cx lookup -- |y 1981 |
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