Steplike magnetization of spin chains in a triangular lattice: Monte Carlo simulations

Lin

et al. 2017

Phys. Rev. Materials

CaOFeS is a semiconducting oxysulfide with polar layered triangular structure. Here a comprehensive theoretical study has been performed to reveal its physical properties, including magnetism, electronic structure, phase transition, magnetodielectric effect, as well as optical absorption. Our calculations confirm the Ising-like G-type antiferromagnetic ground state driven by the next-nearest neighbor exchanges, which breaks the trigonal symmetry and is responsible for the magnetodielectric effect driven by exchange striction. In addition, a large coefficient of visible light absorption is predicted, which leads to promising photovoltaic effect with the maximum light-to-electricity energy conversion efficiency up to 24.2%.

Section: Introductionmentioning

confidence: 99%

Exchange striction driven magnetodielectric effect and potential photovoltaic effect in polar CaOFeS

Lin

et al. 2017

Phys. Rev. Materials

“…Furthermore, the 2D triangular-lattice Ising model [24][25][26][27] has been successfully used to study the magnetization behaviors 28 in the spin-chain system Ca 3 Co 2 O 6 . In the model with the NN and NNN AFM couplings, a six-fold degenerate single stripe state is developed at low T. 29,30 Earlier analysis has shown that the destruction of the state has to take place via a phase transition of first-order character.…”

Section: Introductionmentioning

confidence: 99%

Ashkin-Teller criticality and weak first-order behavior of the phase transition to a fourfold degenerate state in two-dimensional frustrated Ising antiferromagnets

et al. 2017

Self Cite

[Abstract] We study the thermal phase transitions of the four-fold degenerate phases (the plaquette and single stripe states) in two-dimensional frustrated Ising model on the ShastrySutherland lattice using Monte Carlo simulations. The critical Ashkin-Teller-like behavior is identified both in the parameter regions with the plaquette and single stripe phases, respectively. The four-state Potts-critical end points differentiating the continuous transitions from the first-order ones are estimated based on finite-size scaling analyses. Furthermore, similar behavior of the transition to the four-fold single stripe phase is also observed in the anisotropic triangular Ising model. Thus, this work clearly demonstrates that the transitions to the four-fold degenerate states of two-dimensional Ising antiferromagnets exhibit similar transition behavior.

Journal of Applied Physics

“…12,13 With half of Co ions replaced by Mn ions, Ca 3 CoMnO 6 consists of parallel 1D CoMnO 6 chains, aligned along the hexagonal c-axis and separated by Ca 2+ ions. It forms a triangular lattice in the ab-plane.…”

Section: Theory and Modelingmentioning

confidence: 99%

Monte Carlo simulation of ferroelectricity induced by collinear magnetic order in Ising spin chain

Yao

2008

To understand the collinear-magnetism-driven ferroelectricity in the frustrated Ising spin chain, the fascinating magnetoelectric behavior is investigated by using Monte Carlo simulation based on one dimensional elastic Ising model. Our simulation quantitatively reproduces the experimental results of the complicated electric and magnetic behaviors as functions of temperature observed in Ca 3 CoMnO 6 compound ͓Phys. Rev. Lett. 100, 047601 ͑2008͔͒. Moreover, the short-ranged up-up-down-down magnetic ordering is confirmed to be the origin of electric polarization, and the curves of energy components dependent on temperature provide a reasonable explanation for the unconventional magnetoelectric phase transition revealed in the Ising chain magnet.