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| Hauptseite > Publikationsdatenbank > First-principles modeling of magnetic excitations in Mn$_{12}$ > print |
| Hauptseite > Publikationsdatenbank > First-principles modeling of magnetic excitations in Mn$_{12}$ > print |
| 001 | 154878 | ||
| 005 | 20230426083111.0 | ||
| 024 | 7 | _ | |2 doi |a 10.1103/PhysRevB.89.214422 |
| 024 | 7 | _ | |2 ISSN |a 0163-1829 |
| 024 | 7 | _ | |2 ISSN |a 1095-3795 |
| 024 | 7 | _ | |2 ISSN |a 1550-235X |
| 024 | 7 | _ | |2 ISSN |a 0556-2805 |
| 024 | 7 | _ | |2 ISSN |a 1098-0121 |
| 024 | 7 | _ | |2 Handle |a 2128/7837 |
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| 037 | _ | _ | |a FZJ-2014-04121 |
| 041 | _ | _ | |a English |
| 082 | _ | _ | |a 530 |
| 100 | 1 | _ | |0 P:(DE-HGF)0 |a Mazurenko, V. V. |b 0 |e Corresponding Author |
| 245 | _ | _ | |a First-principles modeling of magnetic excitations in Mn$_{12}$ |
| 260 | _ | _ | |a College Park, Md. |b APS |c 2014 |
| 336 | 7 | _ | |0 PUB:(DE-HGF)16 |2 PUB:(DE-HGF) |a Journal Article |b journal |m journal |s 1458312777_18567 |
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| 520 | _ | _ | |a We have developed a fully microscopic theory of magnetic properties of the prototype molecular magnet Mn12. First, the intramolecular magnetic properties have been studied by means of first-principles density functional based methods, with local correlation effects being taken into account within the local density approximation plus U (LDA+U) approach. Using the magnetic force theorem, we have calculated the interatomic isotropic and anisotropic exchange interactions and full tensors of single-ion anisotropy for each Mn ion. Dzyaloshinskii-Moriya (DM) interaction parameters turned out to be unusually large, reflecting a low symmetry of magnetic pairs in molecules, in comparison with bulk crystals. Based on these results we predict a distortion of ferrimagnetic ordering due to DM interactions. Further, we use an exact diagonalization approach allowing one to work with as large a Hilbert space dimension as 108 without any particular symmetry (the case of the constructed magnetic model). Based on the computational results for the excitation spectrum, we propose a distinct interpretation of the experimental inelastic neutron scattering spectra. |
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| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Lichtenstein, A. I. |b 4 |
| 700 | 1 | _ | |0 P:(DE-HGF)0 |a Katsnelson, M. I. |b 5 |
| 773 | 1 | 8 | |a 10.1103/physrevb.89.214422 |b American Physical Society (APS) |d 2014-06-26 |n 21 |p 214422 |3 journal-article |2 Crossref |t Physical Review B |v 89 |y 2014 |x 1098-0121 |
| 773 | _ | _ | |a 10.1103/PhysRevB.89.214422 |g Vol. 89, no. 21, p. 214422 |0 PERI:(DE-600)2844160-6 |n 21 |p 214422 |t Physical review / B |v 89 |y 2014 |x 1098-0121 |
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| 999 | C | 5 | |a 10.1038/nmat2133 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/nmat2374 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1107/S0567740880007893 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.65.184435 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.75.014419 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.59.6927 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.76.3830 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.80.612 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.59.6919 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/S0304-8853(02)00111-7 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.56.8819 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.59.1758 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.62.11556 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.57.1505 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.12.3060 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1088/0953-8984/9/4/002 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1016/0304-8853(87)90721-9 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.52.13419 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.39.865 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.79.144418 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 G. H. Golub |y 1996 |2 Crossref |t Matrix Computations |o G. H. Golub Matrix Computations 1996 |
| 999 | C | 5 | |a 10.1103/PhysRevB.67.174407 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRev.115.2 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |y 1963 |2 Crossref |t Solid State Physics |o Solid State Physics 1963 |
| 999 | C | 5 | |1 B. Barbara |y 1997 |2 Crossref |t Proceedings of the Seventh International Conference on Megagauss Magnetic Field Generation and Related Topics, Sarov, 1996 |o B. Barbara Proceedings of the Seventh International Conference on Megagauss Magnetic Field Generation and Related Topics, Sarov, 1996 1997 |
| 999 | C | 5 | |a 10.1103/PhysRevB.73.014418 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.71.184434 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |1 F. E. Neumann |y 1885 |2 Crossref |t Vorlesungen über die Theorie der Elastizität der festen Körper und des Lichtäthers |o F. E. Neumann Vorlesungen über die Theorie der Elastizität der festen Körper und des Lichtäthers 1885 |
| 999 | C | 5 | |a 10.1103/PhysRev.120.91 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1038/nmat1804 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.86.054407 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevB.56.8192 |9 -- missing cx lookup -- |2 Crossref |
| 999 | C | 5 | |a 10.1103/PhysRevLett.108.187203 |9 -- missing cx lookup -- |2 Crossref |
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