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The magnetic phase diagrams of models for quasi one-dimensional compounds belonging to the iron-based superconductors family are presented. The five-orbital Hubbard model and the real-space Hartree-Fock approximation are employed,…

Superconductivity · Physics 2015-06-19 Qinlong Luo , Kateryna Foyevtsova , German D. Samolyuk , Fernando Reboredo , Elbio Dagotto

High-pressure properties of MnPS$_3$ are investigated by using the hybrid functional, we report a spin-crossover pressure of 35 GPa consisting with experimental observation (30 GPa), less than half of existing report (63 GPa) using the…

Strongly Correlated Electrons · Physics 2021-05-12 Hanxing Zhang , Caoping Ni , Jie Zhang , Liangjian Zou , Zhi Zeng , Xianlong Wang

A hallmark of the iron-based superconductors is the strong coupling between magnetic, structural and electronic degrees of freedom. However, a universal picture of the normal state properties of these compounds has been confounded by recent…

The 3$d$-electronic spin dynamics and the magnetic order in Fe$_3$PO$_4$O$_3$ were investigated by muon spin rotation and relaxation ($\mu$SR) and $^{57}$Fe M\"ossbauer spectroscopy. Zero-field (ZF)-$\mu$SR and $^{57}$Fe M\"ossbauer studies…

The changes in the electronic properties of the substitutionally disordered MgC(Ni_{1-x}T_{x})_{3} (T=Fe, Co or Cu) alloys are studied using the atomic sphere formulation of the Korringa-Kohn-Rostoker coherent-potential approximation method…

Materials Science · Physics 2007-05-23 P. Jiji Thomas Joseph , Prabhakar P. Singh

We investigate the magnetic properties of Ru$_{2}$Mn$Z$ ($Z$ = Sn, Sb, Ge, Si) chemically ordered full Heusler compounds for zero as well as finite temperatures. Based on first principles calculations we derive the interatomic isotropic…

Materials Science · Physics 2020-08-26 Eszter Simon , Andreas Donges , László Szunyogh , Ulrich Nowak

Symmetry arguments are used to develop a spin Hamiltonian for the description of the complex magnetic ordering in HoMnO$_3$. Using a novel application of the Landau Lifshitz Gilbert dynamic torque equations to this model of the frustrated…

Strongly Correlated Electrons · Physics 2012-02-13 S. G. Condran , M. L. Plumer

We propose a new way to treat the ordering of nuclear magnetism of solid $^{3}$He. We argue that the magnetic interaction arises indirectly as a consequence of correlated zero-point motion of the ions. This motion lowers the energy of the…

Condensed Matter · Physics 2016-08-31 N. Gov , E. Polturak

Non-collinear magnetic order arises for various reasons in several magnetic systems and exhibits interesting spin dynamics. Despite its ubiquitous presence, little is known of how magnons, otherwise stable quasiparticles, decay in these…

We present a comprehensive study of the magnetic properties of Sr$_{3-x}$Y$_{x}$(Fe$_{1.25}$Ni$_{0.75}$)O$_{7-\delta}$ ($0 \leq x \leq 0.75$). Experimentally, the magnetic properties are investigated using superconducting quantum…

A 3D Ising model with a purely plaquette, 4-spin interaction displays a planar flip symmetry intermediate between a global and a gauge symmetry and as a consequence has a highly degenerate low temperature phase and no standard magnetic…

Statistical Mechanics · Physics 2012-09-25 D. A. Johnston

How a certain ground state of complex physical systems emerges, especially in two-dimensional materials, is a fundamental question in condensed-matter physics. A particularly interesting case is systems belonging to the class of XY…

Mesoscale and Nanoscale Physics · Physics 2019-01-31 Kangwon Kim , Soo Yeon Lim , Jae-Ung Lee , Sungmin Lee , Tae Yun Kim , Kisoo Park , Gun Sang Jeon , Cheol-Hwan Park , Je-Geun Park , Hyeonsik Cheong

We present a systematic study of higher-order exchange interactions beyond the pair-wise Heisenberg exchange in transition-metal trilayers based on density functional theory calculations. We show that these terms can play an important role…

Materials Science · Physics 2021-07-21 Mara Gutzeit , Soumyajyoti Haldar , Sebastian Meyer , Stefan Heinze

Here we systematically investigate the impact of the spin direction on the electronic and optical properties of transition metal phosphorus trichalcogenides (MPX$_3$, M=Mn, Ni, Fe; X=S, Se) exhibiting various antiferromagnetic arrangement…

Hexagonal HoMnO$_{3}$ is a frustrated antiferromagnet (T$_{N}$=72 K) ferroelectric (T$_{C}$=875 K) in which these two order parameters are coupled. Our neutron measurements of the spin wave dispersion for the S=2 Mn$^{3+}$ on the layered…

Strongly Correlated Electrons · Physics 2009-11-11 O. P. Vajk , M. Kenzelmann , J. W. Lynn , S. B. Kim , S. -W. Cheong

We investigate the magnetic ground state and phase transitions in the frustrated three-dimensional system CaMn2P2 using first-principles calculations combined with spin-dynamics simulations. Our DFT+U calculations reveal that CaMn2P2…

Strongly Correlated Electrons · Physics 2025-06-13 Bidyut Mallick , Sk. Soyeb Ali , S. K. Panda

We study the phase ordering dynamics of the classical antiferromagnetic $J_1$-$J_2$ (nearest-neighbor and next-nearest-neighbor couplings) Heisenberg model on the square lattice in the strong frustration regime ($J_2/J_1 > 1/2$). While…

Strongly Correlated Electrons · Physics 2025-05-02 Yang Yang , Yi-Hsuan Liu , Rafael M. Fernandes , Gia-Wei Chern

We propose a way to use electric-field to control the magnetic ordering of the tetragonal BiFeO3. Based on systematic first-principles studies of the epitaxial strain effect on the ferroelectric and magnetic properties of the tetragonal…

Materials Science · Physics 2015-05-28 Hang-Chen Ding , Chun-Gang Duan

We investigate noncollinear effects in antiferromagnetically coupled clusters using the general, rotationally invariant form of local spin-density theory. The coupling to the electronic degrees of freedom is treated with relativistic…

Atomic and Molecular Clusters · Physics 2009-10-31 C. Kohl , G. F. Bertsch

Magnetic frustration in three dimensions (3D) manifests itself in the spin-$\frac12$ insulator Li$_2$CuW$_2$O$_8$. Density-functional band-structure calculations reveal a peculiar spin lattice built of triangular planes with frustrated…

Materials Science · Physics 2016-02-05 K. M. Ranjith , R. Nath , M. Skoulatos , L. Keller , D. Kasinathan , Y. Skourski , A. A. Tsirlin
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