TY - JOUR
T1 - Magnetic phase diagram of an extended J1-J2 model on a modulated square lattice and its implications for the antiferromagnetic phase of KyFexSe2
AU - Yu, Rong
AU - Goswami, Pallab
AU - Si, Qimiao
PY - 2011/9/28
Y1 - 2011/9/28
N2 - Motivated by the experimentally observed √5×√5 iron vacancy order and a block-spin antiferromagnetic phase with large magnetic moment in K0.8Fe1.6Se2, we study the magnetic phase diagram of an extended J1-J2 model on a 15-depleted square lattice with √5×√5 vacancy order, using a classical Monte Carlo analysis. The magnetic phase diagram involves various antiferromagnetically ordered phases, and most of them have higher-order commensuration. We find that the experimentally relevant block-spin state occupies a significant portion of the phase diagram, and we discuss the spin dynamics of this phase using a linear spin-wave analysis. By comparing the calculated magnetization with the experimental values of magnetic moment, we determine the physical parameter regimes corresponding to the block-spin antiferromagnetic phase. Based on our spin-wave calculations in different parameter regimes, we show how spin-wave degeneracy along the high-symmetry directions of the magnetic Brillouin zone can provide information regarding the underlying exchange couplings. We have also analyzed the magnetic phase diagram of a J1-J2 model on two different modulated square lattices relevant to KyFe1.5Se2, which respectively exhibit 14-depleted 2×2 and 4×2 vacancy ordering.
AB - Motivated by the experimentally observed √5×√5 iron vacancy order and a block-spin antiferromagnetic phase with large magnetic moment in K0.8Fe1.6Se2, we study the magnetic phase diagram of an extended J1-J2 model on a 15-depleted square lattice with √5×√5 vacancy order, using a classical Monte Carlo analysis. The magnetic phase diagram involves various antiferromagnetically ordered phases, and most of them have higher-order commensuration. We find that the experimentally relevant block-spin state occupies a significant portion of the phase diagram, and we discuss the spin dynamics of this phase using a linear spin-wave analysis. By comparing the calculated magnetization with the experimental values of magnetic moment, we determine the physical parameter regimes corresponding to the block-spin antiferromagnetic phase. Based on our spin-wave calculations in different parameter regimes, we show how spin-wave degeneracy along the high-symmetry directions of the magnetic Brillouin zone can provide information regarding the underlying exchange couplings. We have also analyzed the magnetic phase diagram of a J1-J2 model on two different modulated square lattices relevant to KyFe1.5Se2, which respectively exhibit 14-depleted 2×2 and 4×2 vacancy ordering.
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U2 - 10.1103/PhysRevB.84.094451
DO - 10.1103/PhysRevB.84.094451
M3 - Article
AN - SCOPUS:80053520801
SN - 1098-0121
VL - 84
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 9
M1 - 094451
ER -