ThCr2Si2-type phosphide ACo2P2 (A=Rare earth elements) has the same structure as iron arsenides, but their magnetic behaviors are quite distinct. In this paper, we for the first time grew a series of La1-xCexCo2P2 single crystals (x=0.0 to1.0), and made structural and magnetic characterizations. This allows us to carry out a careful investigation on the evolution of magnetism with cerium content and build a magnetic phase diagram. We found that the introduction of cerium induces a rapid decrease of c-axis and a change from ferromagnetic (FM) to antiferromagnetic (AFM) states. By employing first-principles band-structure calculations, we identify the formation of P-P bonding with the shortening of c-axis, which effectively drives an increase of AFM interaction and eventually leads to AFM ordering in the high doping region. The present study may shed light on the interplay between the structural collapsing and electronic/magnetic properties in 122 iron pnictides.
Emerging technologies are demanding innovative properties of glasses. In this work, Cerium Oxide is used as a dopant in Zinc-Tellurite samples and its effects on the properties of the glass are investigated. Thermal analysis and x-ray diffraction confirmed the amorphous nature of all samples. The bivalent nature of Cerium is investigated spectroscopically and a strong redshift induced by the dopant is attributed to charge transfers O$^{2-}{\rightarrow}$Ce$^{4+}$, while the 4f-5d transition of Ce$^{3+}$ could not be identified in absorption or luminescence measurements. Yellow/red (570/650 nm) …
Upcycling solar glass into Ce-doped oxyfluorides: spectroscopic and crystallization properties
Universidade Tecnológica Federal do Paraná（巴西联邦技术大学巴拉那分校）；Universidade Estadual de Maringá（马里纳加州立大学）；Laboratoire CEMHTI, UPR 3079-CNRS（法国国家科学研究中心CEMHTI实验室）
One of the keys to the realization of Quantum Anomalous Hall effect (QAHE) is long range ferromagnetism, which is only experimentally realized in Cr or V doped (Bi,Sb)2Te3 system. Both elements are 3d transition metals and 4d transition metals are found to be ineffective to produce long range ferromagnetism in Bi2Se3. Still, whether long range ferromagnetism can be realized by magnetic doping of 4d elements is an open question. Based on density functional theory calculations, we predict that long range ferromagnetism can be realized in Mo doped Bi2Te3 and Sb2Te3, which are semiconducting. The …
We investigate the possible magnetism on the Si(111)-$\sqrt 3 \times \sqrt 3$ surface, which is stabilized for highly boron-doped samples, by using first-principles calculations. When the silicon adatom on top of a boron atom is removed to form a defect structure, three silicon dangling bonds are exposed generating half-filled doubly degenerate energy levels in the band gap which stabilizes a local magnetic moment of 2 $μ_{\rm B}$. When there are many such defect structures adjacent one another, they are found to align antiferromagnetically. However, we demonstrate that the ferromagnetism can …
The existence of intervalence charge transfer (IVCT) luminescence is reported. It is shown that the so called anomalous luminescence of Ce-doped elpasolite Cs2LiLuCl6, which is characterized mainly by a very large Stokes shift and a very large band width, corresponds to an IVCT emission in Ce3+-Ce4+ pairs, from the 5deg orbital of Ce3+ to 4f orbitals of Ce4+. Its Stokes shift is the sum of the large reorganization energies of the Ce4+ and Ce3+ centers formed after the fixed-nuclei electron transfer and it is equal to the energy of the IVCT absorption commonly found in mixed-valence compounds, …
The realization of long range and insulating ferromagnetic states in topological insulator (TI) has been a pressing issue since its discovery. Only recently, such state was achieved in Cr-doped Bi2-xSbxTe3, leading to the discovery of quantum anomalous Hall effect (QAHE). However, the effect is only observed at extremely low temperatures mainly due to the limited magnetism. To fully understand the mechanism of the ferromagnetic ordering whereby improving the ferromagnetism, we investigated 4f transition metal-doped Bi2Se3, using density-functional-theory approaches. We found that Eu and Sm pre…
We have investigated the magnetic properties of Mn and Cu substituted SrZnO2 single crystals (SrZn0.99Mn0.01O2 and SrZn0.99Cu0.01O2). We observed signatures of weak ferromagnetism as a sharp increase of magnetic susceptibility below 5 K even in the low percentage (x= 0.01) of Mn substituted single crystals. Magnetic susceptibility data measured parallel or perpendicular to the ab plane yield anisotropic behavior with Curie Weiss temperature of about -320 K and -410 K, respectively, suggesting the presence of strong antiferromagnetic couplings among Mn atoms at high temperatures, similar to the…
Mn doping of group-IV semiconductors (Si/Ge) is achieved by embedding a thin Mn-film as a δ-doped layer in group-IV matrix. The Mn-layer consists of a dense layer of monoatomic Mn-wires, which are oriented perpendicular to the Si(001)-(2x1) dimer rows, or Mn-clusters. The nanostructures are covered with an amorphous Si or Ge capping layer, which conserves the identity of the δ-doped layer. The analysis of the bonding environment with STM is combined with the element-specific detection of the magnetic signature with X-ray magnetic circular dichroism. The largest moment (2.5 μB/Mn) is measured f…
Defect-induced magnetism in graphene has been predicted theoretically and observed experimentally. However, there are open questions about the origin of the magnetic behavior when substitutional impurities with $sp$ electrons are considered. The aim of this work is to contribute to the understanding of impurity-induced spin magnetism in doped graphene systems. Thus, the electronic structure and spin magnetic moments for substitutional doped graphene with impurities from groups IIIA (B, Al, and Ga) and VA (N, P, As, Sb, and Bi) of the periodic table were obtained within the framework of density…
The interaction between a magnetic impurity, such as cerium (Ce) atom, and surrounding electrons has been one of the core problems in understanding many-body interaction in solid and its relation to magnetism. Kondo effect, the formation of a new resonant ground state with quenched magnetic moment, provides a general framework to describe many-body interaction in the presence of magnetic impurity. In this Letter, a combined study of angle-resolved photoemission (ARPES) and dynamic mean-field theory (DMFT) on Ce-intercalated graphene shows that Ce-induced localized states near Fermi energy, $E_…
Inhomogeneous Magnetism in La-doped CaMnO3. (II) Mesoscopic Phase Separation due to Lattice-coupled FM Interactions
本文详细研究了Ca（1-x）La（x）MnO_3（0.00 ≤ x ≤ 0.20）的介观磁分离和晶体学相分离。中子粉末衍射和直流磁化技术已被用来隔离所扮演的不同角色的电子掺杂到作为其浓度x的函数的eg水平。多个低温磁性和结晶相内的个别多晶样品的存在被认为是一个内在的功能，遵循从竞争FM和AFM相互作用之间的平衡作为温度的函数的系统。FM双交换相互作用与掺杂的EG电子在较高的温度下比竞争AFM相互作用更有利，并且通过轨道极化与晶格更强地耦合。这些FM相互作用，从而发挥了特权的作用，即使在低例如电子浓度，凭借以上的AFM转变温度诱导的结构修改。
Results are reported for the $f$-electron intermetallic CeAuAl$_4$Ge$_2$, where the atomic arrangement of the cerium ions creates the conditions for geometric frustration. Despite this, magnetic susceptibility measurements reveal that the low temperature magnetic exchange interaction is weak, resulting in marginally frustrated behavior and ordering near $T_{\rm{M}}$ $\approx$ 1.4 K. This occurs within a metallic Kondo lattice, where electrical resistivity and heat capacity measurements show that the Kondo-driven electronic correlations are negligible. Quantum oscillations are detected in ac-ma…
The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this work, the coexistence of ferromagnetism and ferroelectricity is reported in monolayer SnTe system by transition metal (TM) doping. Based on first-principles calculations, the spontaneous spin polarization could be realized by TM doping in ferroelectric SnTe monolayer. In addition to in-plane ferroelectric polarization, the out-of-plane ferroelectric polarization emerges in Mn (Fe)-doped SnTe monolayer due to the intern…
The problem of localization of the resonant impurity states is discussed for an illustrative example of Titanium doped Lead Telluride. Electronic structure of PbTe:Ti is studied using first principles methods, densities of states and Bloch spectral functions are analyzed. We show that Ti creates resonant states in the conduction band of PbTe, however, spectral functions of the system strongly suggest localization of these states and show poor hybridization with PbTe electronic structure. The contrast between results presented here and previously reported spectral functions for PbTe:Tl correlat…
The prediction of ferromagnetism at room temperature in Co-ZnO thin films has generated a large interest in the community due to the possible applications. However, the results are controversial, going from ferromagnetism to non-ferromagnetism, leading to a large debate about its origin (secondary phase, Co clusters or not). By carefully studying the micro-structure of various Co-ZnO films, we show that the Co2+ partly substitutes the ZnO wurtzite matrix without forming Co clusters. Surprisingly, the ferromagnetism nature of the films disappears as the Co content increases. In addition, our re…
We investigate the spin transport and ferromagnetic resonance properties of giant magnetoresistive (GMR) Co/Cu-Ni multilayers with variable levels of Ni doping in the Cu spacer. We present an experimental evidence for a magnetic-to-diamagnetic transition in the atomic magnetic moment of Ni in the Cu matrix for concentrations below 15 at. % Ni. As its concentration is increased, Ni atoms turn into spin scattering centers, which is manifested experimentally as a step-like change in the GMR of the multilayers. This behavior is observed in multilayers with gradient-doped Cu spacers, where only the…
Exchange Frustration and Topological Magnetism in Electrostatically Doped SrRuO3
Department of Physics and Astronomy & Nebraska Center for Materials and Nanoscience, University of Nebraska, Lincoln（内布拉斯加大学林肯分校物理与天文学系及内布拉斯加材料与纳米科学中心）
Two-dimensional (2D) materials with robust magnetism have drawn immense attention for their promising applications in spintronics. Recently, intrinsic ferromagnetic vanadium triiodide (VI3) has been synthesized experimentally. To enhance its spintronic property, we modified VI3 by interstitial doping with 3d transition metals (TM) and used first-principles calculations to investigate the geometric structure, formation energy, electronic property, and magnetism of pristine VI3 and 3d TM-doped VI3 monolayer. Among eight transition metal (Sc-, Ti-, V-, Cr-, Mn-, Fe-, Co-, and Ni-) doped VI3 mater…
Fe-doped III-V ferromagnetic semiconductors (FMSs) such as (In,Fe)As, (Ga,Fe)Sb, (In,Fe)Sb, and (Al,Fe)Sb are promising materials for spintronic device applications because of the availability of both n- and p-type materials and the high Curie temperatures. On the other hand, (Ga,Fe)As, which has the same zinc-blende crystal structure as the Fe-doped III-V FMSs, shows paramagnetism. The origin of the different magnetic properties in the Fe-doped III-V semiconductors remains to be elucidated. To address this issue, we use resonant photoemission spectroscopy (RPES) and x-ray magnetic circular di…
The effects of biaxial strain on the impurity-induced magnetism in P-doped graphene (P-graphene) and N-doped silicene (N-silicene) are studied by means of spin-polarized density functional calculations, using the supercell approach. The calculations were performed for three different supercell sizes $4\times 4$, $5\times 5$, and $6\times 6$, in order to simulate three different dopant concentrations 3.1, 2.0 and 1.4 %, respectively. For both systems, the calculated magnetic moment is 1.0 $μ_B$ per impurity atom for the three studied concentrations. From the analysis of the electronic structure…
Carbon(C) doped hexagonal boron nitride(hBN) has been experimentally reported in recent years to be a possible catalytic host to oxygen reduction reaction(ORR), as well as a possible ferromagnet at room temperature. Substitution by C in hBN has been also reported to form islands of graphene. In this work, we explore from first principles, the connection between these different aspects of C doped hBN. We find formation of graphene islands covering unequal number of B and N sites in hBN to be energetically plausible. They possess a net non-zero magnetic moment and are also found to be substantia…
Density functional theory with local spin density approximation has been used to propose possible room temperature ferromagnetism in N-doped NaCl-type BaO. Pristine BaO is a wide bandgap semiconductor, however, N induces a large density of states at the Fermi level in the nonmagnetic state, which suggests magnetic instability within the Stoner mean field model. The spin-polarized calculations show that N-doped BaO is a true half- metal, where N has a large magnetic moment, which is mainly localized around the N atoms and a small polarization at the O sites is also observed. The origin of magne…
The current work studies the effect of sintering conditions on the densification behavior, microstructure, and electrochemical performance of 6 mol% Sc2O3, 1 mol% CeO2 co-doped ZrO2 (6Sc1CeZr) for solid-state electrolyte applications. The specimen's physical properties and electrochemical performance sintered at different temperatures ranging from 1000 °C to 1700 °C for 6 hours are examined through diffraction, microscopy, and Raman and electrochemical impedance spectroscopy. The activation energy and pre-exponential conductivity factor of the oxygen ions are calculated using a linear fit to t…
The quantum critical point (QCP) in the archetypical heavy-fermion compound CeCu$_6$ doped by Au is described, accounting for the localized $4f$-electron of Ce, using realistic electronic structure calculations combined with dynamical mean-field theory (DMFT). Magnetism trends in Ce(Cu$_{1-ε}$Au$_ε$)$_6$ are compared with those in Co-doped CeCu$_{5}$, which resides on the non-ferromagnetic side of the composition space of one of the earliest rare-earth permanent magnet compounds, Ce(Co,Cu)$_5$. The construction of a realistic Doniach phase diagram shows that the system crosses over a magnetic …
