Ground-state phases in antiferromagnetic spin-crossover chains
| dc.creator | Timm, Carsten | |
| dc.creator | Schollwöck, Ulrich | |
| dc.date | 2004-10-25 | |
| dc.date | 2005-06-23 | |
| dc.date.accessioned | 2026-07-07T03:01:41Z | |
| dc.date.available | 2026-07-07T03:01:41Z | |
| dc.description | Spin-crossover molecules having a low-spin ground state and a low-lying excited high-spin state are promising components for molecular electronics. We theoretically examine one-dimensional spin-crossover chain molecules of the type of Fe-II triazole complexes. The existence of the additional low-spin/high-spin degree of freedom leads to rich behavior already in the ground state. We obtain the complete ground-state phase diagram, taking into account an elastic nearest-neighbor interaction, a ferromagnetic or antiferromagnetic exchange interaction between the magnetic ions, and an external magnetic field. Ground-state energies are calculated with high numerical precision using the density-matrix renormalization group. Besides pure low-spin, highspin, and alternating low-spin/high-spin phases we obtain a number of periodic ground states with longer periods, which we discuss in detail. For example, for antiferromagnetic coupling there exists a dimer phase with a magnetic unit cell containing two high-spin ions forming a spin singlet and a single low-spin ion, which is stabilized by the energy gain for singlet formation. | |
| dc.description | 8 pages RevTeX, 8 figures included | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0410639 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0410639 | |
| dc.identifier | Phys. Rev. B 71, 224414 (2005) | |
| dc.identifier | doi:10.1103/PhysRevB.71.224414 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/25136 | |
| dc.subject | Statistical Mechanics | |
| dc.title | Ground-state phases in antiferromagnetic spin-crossover chains | |
| dc.type | text |