This title appears in the Scientific Report :
2002
Please use the identifier:
http://dx.doi.org/10.1080/01411590290022996 in citations.
Itinerant magnets on a triangular Cu(111) lattice
Itinerant magnets on a triangular Cu(111) lattice
We investigate complex spin structures of frustrated two-dimensional Cr, Mn. and Fe monolayer magnets on a triangular lattice provided by the Cu(111) substrate. First we establish a zero-temperature phase diagram of possible spin structures on the basis of the classical Heisenberg model up to the th...
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Personal Name(s): | Kurz, Ph. |
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Bihlmayer, G. / Hirai, K. / Blügel, S. | |
Contributing Institute: |
Elektronische Eigenschaften; IFF-IEE Theorie I; IFF-TH-I |
Published in: | Phase transitions, 75 (2002) S. 101 - 112 |
Imprint: |
London [u.a.]
Taylor & Francis
2002
|
Physical Description: |
101 - 112 |
DOI: |
10.1080/01411590290022996 |
Document Type: |
Journal Article |
Research Program: |
Kondensierte Materie |
Series Title: |
Phase Transitions
75 |
Subject (ZB): | |
Publikationsportal JuSER |
We investigate complex spin structures of frustrated two-dimensional Cr, Mn. and Fe monolayer magnets on a triangular lattice provided by the Cu(111) substrate. First we establish a zero-temperature phase diagram of possible spin structures on the basis of the classical Heisenberg model up to the third-nearest neighbor exchange interaction. Second we carried out first-principles total energy calculations on the basis of the vector-spin density formulation of the density functional theory using the full potential linearized augmented plane wave (FLAPW) method in film geometry for a set of complex non-collinear spin structures. We found. the ground state of Fe is ferromagnetic, Cr exhibits a coplanar, two-dimensional non-collinear 120degrees Neel state and Mn a three-dimensional non-collinear ground state, the 3Q-state. Incommensurate spin-spiral states are expected for a FeMn alloy on Cu(111). We employ the constrained local moment method to estimate the exchange parameters of the model Hamiltonians. Ike show that for Mn higher-order spin interactions are the origin of the 3Q-state for Mn. The combination of ab initio calculations and model Hamiltonians provides a powerful tool to investigate the magnetic structures of complex magnetic systems. |