We report a combined experimental and theoretical study on intriguing magnetic properties of quasiferroelectric orthochromates. Large single crystals of the family of RECrO$_3$ (RE = Y, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb, and Lu) compounds were successfully grown. Neutron Laue study indicates a good quality of the obtained single crystals. Applied magnetic-field and temperature dependent magnetization measurements reveal their intrinsic magnetic properties, especially the antiferromagnetic (AFM) transition temperatures. Density functional theory studies of the electronic structures were carried out using the Perdew-Burke-Ernzerhof functional plus Hubbard $U$ method. Crystallographic information and magnetism were theoretically optimized systematically. When RE$^{3+}$ cations vary from Y$^{3+}$ and Eu$^{3+}$ to Lu$^{3+}$ ions, the calculated $t$-$e$ orbital hybridization degree and Néel temperature behave similarly to the experimentally-determined AFM transition temperature with variation in cationic radius. We found that the $t$-$e$ hybridization is anisotropic, causing a magnetic anisotropy of Cr$^{3+}$ sublattices. This was evaluated with the nearest-neighbour $J_1$-$J_2$ model. Our research provides a picture of the electronic structures during the $t$-$e$ hybridization process while changing RE ions and sheds light on the nature of the weak ferromagnetism coexisting with predominated antiferromagnetism. The available large RECrO$_3$ single crystals build a platform for further studies of orthochromates.
We perform ab-initio calculations on Bi$_\mathrm{Se}$ antisite defects in the surface of Bi$_2$Se$_3$, finding strong low-energy defect resonances with a spontaneous ferromagnetism, fixed to an out-of-plane orientation due to an exceptional large magnetic anisotropy energy. For antisite defects in the surface layer, we find semi-itinerant ferromagnetism and strong hybridization with the Dirac surface state, generating a finite energy gap. For deeper lying defects, such hybridization is largely absent, the magnetic moments becomes more localized, and no energy gap is present.
Artificially fabricated 3$d$/5$d$ superlattices (SLs) involve both strong electron correlation and spin-orbit coupling in one material by means of interfacial 3$d$-5$d$ coupling, whose mechanism remains mostly unexplored. In this work we investigated the mechanism of interfacial coupling in LaMnO$_3$/SrIrO$_3$ SLs by several spectroscopic approaches. Hard x-ray absorption, magnetic circular dichroism and photoemission spectra evidence the systematic change of the Ir ferromagnetism and the electronic structure with the change of the SL repetition period. First-principles calculations further re…
Kondo hybridization in partially filled f-electron systems conveys significant amount of electronic states sharply near the Fermi energy leading to various instabilities from superconductivity to exotic electronic orders. UGe2 is a 5f heavy fermion system, where the Kondo hybridization is interrupted by the formation of two ferromagnetic phases below a 2nd order transition Tc ~ 52 K and a crossover transition Tx ~ 32 K. These two ferromagnetic phases are concomitantly related to a spin-triplet superconductivity that only emerges and persists inside the magnetically ordered phase at high pressu…
To investigate ferromagnetic semiconductors and insulators, such as the famous EuO, EuS, or CrBr$_3$, we propose a hybridized Kondo-lattice model, where, in addition to the conduction electrons, localized moments (e.g., the $4f$-electrons) are modeled as a strongly correlated band system. The quasi-empty conduction band is weakly filled due to the hybridization term. This activates the intraatomic exchange coupling between conduction and localized electrons. Temperature-dependent phase diagrams and quasiparticle densities of states are presented for various coupling and hybridization strengths…
Strain-enhanced edge ferromagnetism and bipolar magnetic semiconducting behavior in Janus graphene nanoribbons
School of Physics and Astronomy, and Key Laboratory of Multiscale Spin Physics (Ministry of Education), Beijing Normal University（北京师范大学物理与天文学院，多尺度自旋物理教育部重点实验室）；School of Physics and Electronics, Shandong Normal University（山东师范大学物理与电子科学学院）
We carry out a first-principles investigation on magnetism, electronic structure, magneto-optical effects and topological property of newly grown cubic double perovskite Ba2NiOsO6 and its (111) (Ba2NiOsO6)/(BaTiO3)10 superlattice, based on the density functional theory with the generalized gradient approximation (GGA) plus onsite Couloumb interactions. Interestingly, we find that both structures are rare ferromagnetic (FM) semiconductors with estimated Curie temperatures of ~150 and 70 K, respectively. The calculated near-neighbor exchange coupling parameters reveal that the ferromagnetism is …
We investigate near-Fermi-energy (EF) element-specific electronic and spin states of ferromagnetic van der Waals (vdW) metal Fe5GeTe2. The soft x-ray angle-resolved photoemission spectroscopy (SX-ARPES) measurement provides spectroscopic evidence of localized Fe 3d band. We also find prominent hybridization between the localized Fe 3d band and the delocalized Ge/Te p bands. This picture is strongly supported from direct observation of the remarkable spin polarization of the ligand p bands near EF, using x-ray magnetic circular dichroism (XMCD) measurements. The strength of XMCD signal from lig…
Single monolayer ferromagnetic perovskite SrRuO3 with high conductivity and strong ferromagnetism
NTT Basic Research Laboratories, NTT Corporation（NTT基础实验室，NTT公司）；The University of Tokyo（东京大学）；Hiroshima University（广岛大学）；Japan Synchrotron Radiation Research Institute (JASRI)（日本同步辐射研究所）
We have investigated the ferromagnetic (FM) phase which suddenly develops in UCo1-xRuxAl and is isolated by paramagnetic regions on both sides from the parent UCoAl and URuAl. For that purpose we have grown high quality single crystals with x = 0.62, 0.70, 0.74, 0.75 and 0.78. The properties of the FM phase have been investigated by microscopic and macroscopic methods. Polarized neutron diffraction on a single crystal with x = 0.62 revealed the gradual growth of the hybridization between U and T-site in the U - T plane with increasing x. Hybridization works here as a mediator of the strong ind…
Crystal structures and magnetic order of La{0.5+delta}A{0.5-delta}Mn{0.5+epsilon}Ru{0.5-epsilon}O{3} (A= Ca, Sr, Ba): Possible orbital glass ferromagnetic state
The design and synthesis of targeted functional materials have been a long-term goal for material scientists. Although a universal design strategy is difficult to generate for all types of materials, however, it is still helpful for a typical family of materials to have such design rules. Herein, we incorporated several significant chemical and physical factors regarding magnetism, such as structure type, atom distance, spin-orbit coupling, and successfully synthesized a new rare-earth-free ferromagnet, MnPt5As, for the first time. MnPt5As can be prepared by using high-temperature pellet metho…
Subtle changes in chemical bonds may result in dramatic revolutions in magnetic properties in solid state materials. MnPt5P, a new derivative of the rare-earth-free ferromagnetic MnPt5As, was discovered and is presented in this work. MnPt5P was synthesized and its crystal structure and chemical composition were characterized by X-ray diffraction as well as energy-dispersive X-ray spectroscopy. Accordingly, MnPt5P crystallizes in the layered tetragonal structure with the space group P4/mmm (No. 123), in which the face-shared Mn@Pt12 polyhedral layers are separated by P layers. In contrast to th…
We report on microscopic study of the ferromagnetism enhancement in the Ru doped ferromagnetic superconductor (FM SC) UCoGe. For that purpose, two single crystals with composition UCo0.97Ru0.03Ge and UCo0.88Ru0.12Ge were prepared. Both single crystals were investigated by polarized neutron diffraction (PND) at low temperatures in magnetic fields and the latter one also by the soft X-ray magnetic circular dichroism (XMCD) method. UCo0.96Ru0.03Ge and UCo0.88Ru0.12Ge have been found ordering ferromagnetically below the Curie temperature TC = 6 K and 8.5 K, respectively, which are considerable hig…
The highest antiferromagnetic (AFM) temperature in Ce based compounds has been reported for CeScGe with Tn=47K, but its local or itinerant nature was not deeply investigated yet. In order to shed more light into this unusually high ordering temperature we have investigated structural, magnetic, transport and thermal properties of CeTi{1-x}Sc{x}Ge alloys within the range of stability of the CeScSi-type structure: 0.25<x<1. Along this concentration range, this strongly anisotropic system presents a complex magnetic phase diagram with a continuous modification of its magnetic behavior, from ferro…
