Physical Review Letters · 1989 · 166 citations · 6 references
Natural SciencesPhysicsComputational PhysicsCondensed Matter PhysicsQuantum MechanicsAb Initio MethodsAntiferromagnetic MaterialsAntiferromagnetismCrystal LatticeMagnetic Properties Of SolidsStrongly Correlated Electron SystemsHeisenberg AntiferromagnetHeisenberg ModelLow-dimensional AntiferromagnetismSpin FluctuationsSpin-wave TheoryTwo-dimensional AntiferromagnetsTwo-dimensional MagnetismVacancies
We study static vacancies on a 2D Heisenberg spin-(1/2 lattice at T=0, using linear spin-wave theory (LSW) and exact diagonalizaton. Unexpectedly, quantum fluctuations are reduced on neighbors of an isolated vacancy. Two vacancies are attractive, with lowest energy as nearest neighbors. We find LSW to be surprisingly accurate relative to exact diagonalization, both done on a 4\ifmmode\times\else\texttimes\fi{}4 lattice. However, LSW on larger systems gives substantial modification of the 4\ifmmode\times\else\texttimes\fi{}4 results for binding and ground-state energies, suggesting the need for larger lattices than previously suspected for reliable numerical estimates.
6
Simplified Impurity Calculation
G. F. Koster, J. C. Slater · Physical Review · 1954 · 532 citations
Natural Sciences, Materials Science, Computational Materials Science +11