We used Raman scattering to study the lattice and magnetic excitations in the hexagonal HoMnO3 single crystals. The E2 phonon mode at 237 cm-1 is affected by the magnetic order. This mode is related to the displacement of Mn and O ions in a-b plane and modulates the Mn-O-Mn bond angles in a-b plane and the in-plane Mn-Mn superexchange interaction. The mode at 269 cm-1 associated to the displacement of the apical Ho3+ ions along the c direction presents an abrupt change of slope at TN showing that the role of the rare earth ions can not be neglected in the magnetic transition. We have identified magnon and crystal field excitations. The temperature dependence of the magnetic excitations has been compared to the Mn and Ho moment and indicates that the exchange interaction pattern between Mn and Ho atoms drives the uniaxial anisotropy gap above the Mn-spin-rotation transition.
The rare earth nickelates RNiO3 are metallic at high temperatures and insulating and magnetically ordered at low temperatures. The low temperature phase has been predicted to be type II multiferroic, i.e. ferroelectric and magnetic order are coupled and occur simultaneously. Confirmation of those ideas has been inhibited by the absence of experimental data on single crystals. Here we report on Raman spectroscopic data of RNiO3 single crystals (R = Y, Er, Ho, Dy, Sm, Nd) for temperatures between 10 K and 1000 K. Entering the magnetically ordered phase we observe the appearance of a large number…
Multiferroics with coupling between ferroelectricity and magnetism have been pursued for decades. However, their magnetoelectric performances remain limited due to the common trade-off between ferroelectricity and magnetism. Here, a family of nitride perovskites is proposed as multiferroics with prominent physical properties and nontrivial mechanisms. Taking GdWN$_3$ as a prototype, our first-principles calculations found that its perovskite phases own large polarizations (e.g. $111.3$ $μ$C/cm$^2$ for the $R3c$ phase) and a magnetic moment $7$ $μ_{\rm B}$/Gd$^{3+}$. More interestingly, its fer…
Ab-initio spin-polarized Density Functional Theory plus U is used to study the electronic and magnetic properties of tetragonal doped barium titanate (Ba$_{1-x}$Eu$_x$O$_3$) system for different europium (Eu$^{3+}$) concentrations. For this study, the Projector Augmented Wave (PAW) method and a Perdew-Zunger (LSDA) approximation, which has been used for the exchange correlation energy, have been considered taking into account a supercell model. In this model, the spin polarization as well as the Hubbard's potential have been used for the correction of the electron-electron Coulomb interactions…
Electronic correlations decimate the ferroelectric polarization of multiferroic HoMn2O5
我们表明，电子相关性抽取的本征铁电极化最近发现的一类多铁性锰氧化物RMn $_2$ O $_5$，其中R是一种稀土元素。这是从{ \it ab initio}能带结构计算证明，该计算解释了锰3d电子之间的强局部库仑相互作用-这些材料中磁性的根源。当包括这些时，计算的多铁性HoMn $_2$ O $_5$的电子、磁性和晶格结构导致与实验一致的极化的幅度和方向。抽取背后的微观机制是铁电晶格位移引起的离子极化和价电荷重新分布引起的电子极化的近抵消。
The electric field effect on magnetism was examined in the multiferroic conical magnet Mn$_2$GeO$_4$, which shows a strong coupling between ferromagnetic and ferroelectric order parameters. The systematic evaluation of the electric polarization in the multiferroic phase below 5.5 K under various field cooling conditions reveals that small magnetic fields of 0.1 T significantly reduce the required electric fields needed to reach saturation. By applying electric fields during magnetic field dependent hysteresis measurements of magnetization M and polarization P an electrically controllable excha…
Experimental observation of ferrielectricity in multiferroic DyMn2O5: revisiting the electric polarization
多铁性RMn_2 O_5（R为稀土离子）的电极化的强度及其磁起源仍是一个有争议的问题。在这项工作中，依赖于温度的电极化的强度的DyMn 2 O 5，这个RMn 2 O 5家族中最有吸引力的成员，使用热释电电流的方法，在不同的电冷却的终点温度，加上正向上-负向下（PUND）技术进行了研究。结果表明，DyMn_2O_5在低温下表现出铁电性而非铁电性，表现为两个相互作用且反平行的铁电亚晶格，且具有不同的温度依赖性。这两个铁电亚晶格被认为是由Mn-Mn自旋相互作用和Dy-Mn自旋相互作用的对称交换-伸缩机制产生的。路径依赖的电极化的强度反映了低温区的一级磁转变。这种磁电效应主要归因于Dy的自旋序对磁场的敏感性。本实验有助于澄清DyMn_2 O_5和其他RMn_2 O_5多铁性材料中令人困惑的问题。
We report the results of detailed investigations of magnetization, heat-capacity, dielectric, pyrocurrent, and magneto(di)electric measurements on Tb2BaCoO5, belonging to a hither-to-unexplored spin-chain cobaltates family, R2BaCoO5 (R= Rare-earths). The magnetic measurements reveal that this compound exhibits an antiferromagnetic transition at (T_N=) 18.8 K and there is a spin-reorientation beyond 40 kOe below T_N. Dielectric and pyrocurrent data measured as a function of temperature and magnetic-field establish that this compound is a type-II multiferroic material. The most fascinating findi…
Possible ferrimagnetism and ferroelectricity of half-substituted rare-earth titanate: a first-principles study on Y$_{0.5}$La$_{0.5}$TiO$_3$
具有钙钛矿结构的钛酸盐，包括铁电体（例如，BaTiO $_3$）和铁磁材料（例如，YTiO（$_3$）是重要的功能材料。最近的理论研究预测了应变EuTiO $_3$和钛酸盐超晶格中的多铁性态，其中前者已经被实验证实。在这里，第一性原理计算进行调查Y半取代的LaTiO 3的结构，磁性和电子性质。我们的研究结果表明，由于固有的相竞争，Y $_{0.5}$ La $_{0.5}$ TiO $_3$的磁性敏感地依赖于其结构细节。最低能态是铁磁态，导致0.25 $μ_{\rm B}$ /Ti。此外，Y $_{0.5}$ La $_{0.5}$ TiO $_3$的某些构型表现出混合的非正常极化，这可以显著地受到磁性的影响，从而导致多铁性。由于取代的猝灭无序，具有随机A位离子的真正Y $_{0.5}$ La $_{0.5}$ TiO 3材料可能表现出有趣的弛豫行为。
We report cooperative magnetic orderings in a 6H-perovskite multiferroic system, Ba3HoRu2O9, via comprehensive neutron powder diffraction measurements. This system undergoes long-range antiferromagnetic ordering at TN1 ~ 50 K with a propagation wave vector of K1 = (0.5 0 0), a transition temperature much higher than the previously reported one at ~10 K (TN2). Both Ru and Ho-moments order simultaneously below TN1, followed by spin-reorientations at lower temperatures, demonstrating strong Ru(4d)-Ho(4f) magnetic correlation. Below TN1 another magnetic phase with a propagation wave vector K2 = (0…
Matter-light interaction is at the center of diverse research fields from quantum optics to condensed matter physics, opening new fields like laser physics. A magnetic exciton is one such rare example found in magnetic insulators. However, it is relatively rare to observe that external variables control matter-light interaction. Here, we report that the broken inversion symmetry of multiferroicity can act as an external knob enabling the magnetic exciton in van der Waals antiferromagnet NiI2. We further discover that this magnetic exciton arises from a transition between Zhang-Rice-triplet and…
Based on the electronic band structure obtained from first principles DFT calculations, the opticalspectra of yttrium and neodymium nickelates are computed. We show that the results are in fairagreement with available experimental data. We clarify the electronic transitions at the origin of thefirst two peaks, highlighting the important role of transitions from t2g states neglected in previousmodels. We discuss the evolution of the optical spectra from small to large rare-earth cations andrelate the changes to the electronic band structure.
We have investigated the electronic structure of rare-earth tetraborides, $\textrm{RB}_{4}$, using first-principle electronic structure methods (DFT) implemented in Quantum Espresso (QE). In this article we have studied heather-to neglected strong spin-orbit coupling (SOC) effects present in these systems on the electronic structure of these system in the non-magnetic ground state. The calculations were done under GGA and GGA+SO approximations using ultrasoft pseudopotentials and fully relativistic ultrasoft pseudopotentials (for SOC case). Perdew-Burke-Ernzerhof generalized gradient approxima…
We study the rare-earth magnets on a honeycomb lattice, and are particularly interested in the experimental consequences of the highly anisotropic spin interaction due to the spin-orbit entanglement. We perform a high-temperature series expansion using a generic nearest-neighbor Hamiltonian with anisotropic interactions, and obtain the heat capacity, the parallel and perpendicular spin susceptibilities, and the magnetic torque coefficients. We further examine the electron spin resonance linewidth as an important signature of the anisotropic spin interactions. Due to the small interaction energ…
The rare-earth compounds R2O2Bi (R=Tb, Dy, Er, Lu, Y) are newly discovered superconductors in the vicinity of a rare-earth magnetic long-range order. In this work, we determine the magnetic order of the parent compound Dy2O2Te by neutron scattering as the A-type antiferromagnetic structure below the Néel temperature TN=9.7K. The large staggered magnetic moment 9.4(1) μB per Dy at T=3.5K lies in the basal ab plane. In a magnetic field, anomalous magnetic properties including the bifurcation between zero-field- and field-cooling magnetization, a butterfly-shaped magnetic hysteresis, and slow mag…
The Crystalline Electric Field (CEF) influence is usually described by considering an ideally symmetrical rare-earth site. In the case of cage compounds, ample excursions of the rare-earth inside the cage require an adapted CEF description. A corrective, position dependent, CEF term accounts for the deviation from the perfect symmetry. In the paramagnetic range, a CEF level with orbital degeneracy thus acquires a width reflecting the rare-earth spatial distribution. In the case, frequent in cubic systems, of an orbitally degenerate CEF ground state at the center, this width introduces an addit…
We calculated electron susceptibility of rare-earth tritelluride compounds RTe$_3$ as a function of temperature, wave vector and electron-dispersion parameters. Comparison of results obtained with the available experimental data on the transition temperature and on the wave vector of a charge-density wave in these compounds allowed us to predict values and the evolution of electron-dispersion parameters with the variation of atomic number of rare-earth element R.
Structural, magnetic and multiferroic properties of single crystals of Dy$_{1-x}$Ho$_x$MnO$_3$ ($x = 0, 0.2$) were investigated by the different methods of polarized and classical neutron diffraction and macroscopic methods in order to determine the effect of Ho doping on the magneto-electric behavior of the title compounds. It is shown that substitution by Ho of 20% on the position of Dy do not change overall crystal symmetry of compound. It remains of Pnma type for both compositions down to the very low temperatures. Magnetic ordering do not change the crystal structure. Precise magnetic ord…
Rare-earth iron garnets $R_{3}$Fe$_{5}$O$_{12}$ are fascinating insulators with very diverse magnetic phases. Their strong potential in spintronic devices has encouraged a renewal of interest in the study of their low temperature spin structures and spin wave dynamics. A striking feature of rare-earth garnets with $R$-ions exhibiting strong crystal-field effects like Tb-, Dy-, Ho-, and Er-ions is the observation of low-temperature non-collinear magnetic structures featuring "umbrella-like" arrangements of the rare-earth magnetic moments. In this study, we demonstrate that such umbrella magneti…
