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| 100 | 1 | _ | |a Chiesa, A. |0 P:(DE-Juel1)162337 |b 0 |
| 245 | _ | _ | |a First-principles many-body models for electron transport through molecular nanomagnets |
| 260 | _ | _ | |a Woodbury, NY |c 2019 |b Inst. |
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| 520 | _ | _ | |a Impressive advances in the field of molecular spintronics allow one to study electron transport through individual magnetic molecules embedded between metallic leads in the purely quantum regime of single electron tunneling. Besides fundamental interest, this experimental setup, in which a single molecule is manipulated by electronic means, provides the elementary units of possible forthcoming technological applications, ranging from spin valves to transistors and qubits for quantum information processing. Theoretically, while for weakly correlated molecular junctions established first-principles techniques do enable the system-specific description of transport phenomena, methods of similar power and flexibility are still lacking for junctions involving strongly correlated molecular nanomagnets. Here we propose an efficient scheme based on the ab initio construction of material-specific Hubbard models and on the master-equation formalism. We apply this approach to a representative case, the {$Ni_2$} molecular spin dimer, in the regime of weak molecule-electrode coupling, the one relevant for quantum-information applications. Our approach allows us to study in a realistic setting many-body effects such as current suppression and negative differential conductance. We think that this method has the potential for becoming a very useful tool for describing transport phenomena in strongly correlated molecules. |
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| 773 | 1 | 8 | |a 10.1103/physrevb.99.235145 |b American Physical Society (APS) |d 2019-06-24 |n 23 |p 235145 |3 journal-article |2 Crossref |t Physical Review B |v 99 |y 2019 |x 2469-9950 |
| 773 | _ | _ | |a 10.1103/PhysRevB.99.235145 |g Vol. 99, no. 23, p. 235145 |0 PERI:(DE-600)2844160-6 |n 23 |p 235145 |t Physical review / B |v 99 |y 2019 |x 2469-9950 |
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| 999 | C | 5 | |a 10.1126/science.1249802 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/nmat2133 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/nature11341 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/acscentsci.5b00338 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevA.89.052308 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/srep16036 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.93.094432 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.119.187702 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1093/acprof:oso/9780198567530.001.0001 |1 D. Gatteschi |2 Crossref |9 -- missing cx lookup -- |y 2006 |
| 999 | C | 5 | |y 2017 |2 Crossref |t Molecular Magnetic Materials: Concepts and Applications |o Molecular Magnetic Materials: Concepts and Applications 2017 |
| 999 | C | 5 | |a 10.1103/PhysRevLett.107.117203 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.108.247213 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/srep07423 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/ja507809w |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/npjqi.2015.12 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/ncomms11377 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/j.chempr.2016.10.001 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1039/C8SC01695J |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/jacs.8b05934 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/s41567-019-0437-4 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1039/C2CS35232J |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1002/ange.201601734 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1063/1.4938086 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/acs.jpclett.5b02527 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1002/chem.201503431 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/ncomms6304 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1039/C5SC04295J |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/jacs.6b05574 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/jacs.5b13408 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/jacs.6b08467 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/acsnano.5b01056 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.109.147203 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.91.035442 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/j.physrep.2011.08.002 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.80.104422 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 D. A. Ryndyk |y 2009 |2 Crossref |t Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale in Energy Transfer Dynamics in Biomaterial Systems |o D. A. Ryndyk Green Function Techniques in the Treatment of Quantum Transport at the Molecular Scale in Energy Transfer Dynamics in Biomaterial Systems 2009 |
| 999 | C | 5 | |a 10.1103/PhysRevB.88.224423 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.104.017202 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |y 2005 |2 Crossref |t Introducing Molecular Electronics |o Introducing Molecular Electronics 2005 |
| 999 | C | 5 | |a 10.1063/1.4975767 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/1361-648X/aa7e36 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.94.174412 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.96.196805 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.73.235304 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.88.085404 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.119.056801 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.91.195404 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1039/C8DT02570C |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/nnano.2013.133 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.110.157204 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.94.224422 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1039/C8SC00163D |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 B. L. Silver |y 1976 |2 Crossref |t Irreducible Tensor Methods |o B. L. Silver Irreducible Tensor Methods 1976 |
| 999 | C | 5 | |a 10.1017/CBO9780511524554 |1 Z. Rudzikas |2 Crossref |9 -- missing cx lookup -- |y 1997 |
| 999 | C | 5 | |1 L. C. Biedenharn |y 1985 |2 Crossref |t Angular Momentum in Quantum Physics: Theory and Application |o L. C. Biedenharn Angular Momentum in Quantum Physics: Theory and Application 1985 |
| 999 | C | 5 | |a 10.1016/j.cpc.2010.04.018 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/jp107147x |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/RevModPhys.32.296 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 E. Pavarini |y 2011 |2 Crossref |t The LDA+DMFT Approach to Strongly Correlated Materials |o E. Pavarini The LDA+DMFT Approach to Strongly Correlated Materials 2011 |
| 999 | C | 5 | |a 10.1103/PhysRevB.39.1708 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 A. Abragam |y 1970 |2 Crossref |t Electron Paramagnetic Resonance of Transition Metal Ions |o A. Abragam Electron Paramagnetic Resonance of Transition Metal Ions 1970 |
| 999 | C | 5 | |a 10.1103/PhysRevB.44.1646 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.70.195345 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.77.201406 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.80.033302 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.79.235404 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/s41467-018-08112-x |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 N. G. van Kampen |y 1992 |2 Crossref |t Stochastic Processes in Physics and Chemistry |o N. G. van Kampen Stochastic Processes in Physics and Chemistry 1992 |
| 999 | C | 5 | |a 10.1126/science.1079879 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1039/b717686b |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRev.147.392 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1021/ja101887f |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.75.064404 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1039/C4CS00231H |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.96.206801 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/nnano.2007.110 |9 -- missing cx lookup -- |2 Crossref |
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