Analyzing the orbital structure and lattice distortions in the CE phase of half-doped manganites, we demonstrate that the usual approach directly relating the orbital occupation of Jahn-Teller ions to the displacements of neighboring ligands may be misleading. For the correct identification of orbital structure, it is necessary to take self-consistently into account the electron-lattice interactions, kinetic energy of charge carriers, and crystal-field effects. In certain situations, e.g. in the CE phase of single-layered manganite La$_{0.5}$Sr$_{1.5}$MnO$_4$, the type of orbital ordering strongly deviates from that, which one would deduce from the local lattice distortions.
We present a theoretical study on the relation between the size of the rare earth ions, often known as chemical pressure, and the stability of the coherent Jahn-Teller distortions in undoped perovskite manganites. Using a Keating model expressed in terms of atomic scale symmetry modes, we show that there exists a coupling between the uniform shear distortion and the staggered buckling distortion within the Jahn-Teller energy term. It is found that this coupling provides a mechanism by which the coherent Jahn-Teller distortion is more stabilized by smaller rare earth ions. We analyze the appear…
Magnetoelectric phase diagrams of the perovskite manganites, Eu1-xYxMnO3 and Gd1-xTbxMnO3, are theoretically studied. We first construct a microscopic model, and then analyze the model using the Monte-Carlo method. We reproduce the diagrams, which contain two different multiferroic states, i.e., the ab-plane spin cycloid with electric polarization P//a and the bc-plane spin cycloid with P//c. We reveal that their competition originates from a conflict between the single-ion anisotropy and the Dzyaloshinsky-Moriya interaction, which is controlled by the second-neighbor spin exchanges enhanced b…
Magnetic and orbital order in overdoped bilayer manganites
在掺杂区$0.5 < x <1.0$的双层锰氧化物的磁性和轨道的顺序已经从一个模型，该模型包括两个$e_g$轨道在每个Mn站点，轨道间的库仑相互作用和晶格畸变进行了研究。通常的双交换通过$e_g$轨道进行。它示出，这样的模型再现最近获得的双层系统在此范围内的掺杂的相图。由Ling等人看到的具有（$π,0,π$）自旋序的C型相似乎是分层几何结构的自然结果，并且通过系统的静态畸变而稳定。的轨道顺序示出驱动磁顺序，而各向异性跳跃的$e_g$轨道，分层的基本结构和相关的静态失真的性质在很大程度上决定了轨道安排。
Effect of suppression of local distortion on magnetic, electrical and thermal transport properties of Cr substituted bi-layer manganite LaSr$_{2}$Mn$_{2}$O$_{7}$
Long-Range Magnetic Interactions Induced by the Lattice Distortions and the Origin of the E-type Antiferromagnetic Phase in the Undoped Orthorhombic Manganites
We introduce an effective model for $e_g$ electrons to describe three-dimensional perovskite (La$_{1-x}$Sr$_{x}$MnO$_3$ and La$_{1-x}$Ca$_{x}$MnO$_3$) manganites and study the magnetic and orbital order on $4\times 4\times 4$ cluster using correlated wave functions. The model includes the kinetic energy, and on-site Coulomb interactions for $e_g$ electrons, antiferromagnetic superexchange interaction between $S=3/2$ core spins, and the coupling between $e_g$ electrons and Jahn-Teller modes. The model reproduces the experimentally observed magnetic order: ($i$) $A$-type antiferromagnetic phase …
The orbital order-disorder transition temperature (T_OO) versus tolerance factor (t) plot switches from monotonic to non-monotonic beyond a doping level (x) ~ 10 atom% in a family of R(1-x)A(x)MnO3 systems(R = La, Pr, Nd; A = Ca, Sr; x = 0.0-0.2). T_OO reaches maximum at a 'doping-dependent' critical tolerance factor t_C(x) (for 0.1<x<0.2)at which the orthorhombic distortion (D) also maximizes. Such an observation reflects influence of charge carriers on both 'intrinsic' octahedral-site distortion and its bias on the orbital order in doped perovskite manganites and, thus, deviation from what h…
Anisotropic phonon conduction and lattice distortions in CMR-type bilayer manganite (La$_{1-z}$Pr$_{z}$)$_{1.2}$Sr$_{1.8}$Mn$_{2}$O$_{7}$ (z=0,0.2,0.4 and 0.6) single crystals
本文系统地研究了（La $_{1-z}$ Pr $_{z}$）$_{1.2}$ Sr $_{1.8}$ Mn $_{2}$ O $_{7}$（$z$（Pr）= 0.2，0.4）单晶的热导率随温度和磁场的变化。和0.6。晶格畸变由于Pr-取代和各向异性的热导率在双层锰氧化物中的不同的弛豫模型的基础上提出的金属和绝缘状态的局部晶格畸变的Maderda等。巨磁热效应的缩放作为磁化强度的函数，并讨论了由于Pr-取代的$e_g$ -电子轨道状态的占领的系统变化的基础上。
Orthorhombically distorted perovskite manganites, RMnO3 with R being a trivalent rare-earth ion, exhibit a variety of magnetic and electric phases including multiferroic (i.e. concurrently magnetic and ferroelectric) phases and fascinating magnetoelectric phenomena. We theoretically study the phase diagram of RMnO3 by constructing a microscopic spin model, which includes not only the superexchange interaction but also the single-ion anisotropy (SIA) and the Dzyaloshinsky-Moriya interaction (DMI). Analysis of this model using the Monte-Carlo method reproduces the experimental phase diagrams as …
A tight-binding model for eg electrons coupled to Jahn-Teller lattice distortions is studied via unbiased Monte- Carlo simulations. By focusing on the periodicity of the Jahn Teller distortions, and the one-particle spectral function, our results clarify the physical origin of the Fermi-arcs phase observed in layered manganites. In a range of parameters where no broken symmetry phase exists, the nearly nested Fermi surface favors certain correlations between Jahn Teller distortions. The spectral weight near the Brillouin zone edge is suppressed, leading to the pseudogap in the density of state…
Electronic, lattice, and spin interactions at the interfaces between crystalline complex transition metal oxides can give rise to a wide range of functional electronic and magnetic phenomena not found in bulk. At hetero-interfaces, these interactions may be enhanced by combining oxides where the polarity changes at the interface. The physical structure between non-polar SrTiO$_3$ and polar La$_{1-x}$Sr$_x$MnO$_3$(x=0.2) is investigated using high resolution synchrotron x-ray diffraction to directly determine the role of structure in compensating the polar discontinuity. At both the oxide-oxide…
The highly anisotropic resistivities in strained manganites are theoretically studied using the two-orbital double-exchange model. At the nanoscale, the anisotropic double-exchange and Jahn-Teller distortions are found to be responsible for the robust anisotropic resistivities observed here via Monte Carlo simulations. An unbalanced in the population of orbitals caused by strain is responsible for these effects. In contrast, the anisotropic superexchange is found to be irrelevant to explain our results. Our model study suggests that highly anisotropic resistivities could be present in a wide r…
Stretched exponential behavior in remanent lattice striction of a (La,Pr)$_{1.2}$Sr$_{1.8}$Mn$_{2}$O$_{7}$ bilayer manganite single crystal
本文研究了（La，Pr）$_{1.2}$ Sr $_{1.8}$ Mn $_{2}$ O $_{7}$单晶的弛豫磁致伸缩随时间的变化，以研究双层锰氧化物晶格畸变的慢动力学。双交换和Jahn-Teller型轨道-晶格相互作用之间的竞争导致所观察到的晶格轮廓遵循拉伸指数函数。这一发现表明，空间增长的本地晶格畸变加上电子$_{g}$ -电子轨道强烈相关的外观场诱导的CMR效应。
The roles of crystal-field splitting and Jahn-Teller distortions on the orbital ordering transition are investigated in the single-layer manganites near half doping. Crystal-field splitting of energy levels favoring the $d_{3z^2-r^2}$ occupancy provides not only the correct Fermi surface topology for La$_{0.5}$Sr$_{1.5}$MnO$_4$ having a circular electron pocket around the $Γ$ point, but also enhances the flatness of the hole pocket around the M point thereby improving the nesting. In the presence of the circular electron pocket, Jahn-Teller distortions are found to be crucial for the transitio…
Reflectivity as a function of temperature for the La$_{0.67}$Ca$_{0.33}$MnO$_{3}$ (LCMO) film has been measured across the metal-insulator phase transition. The optical properties and their temperature dependence were determined in the infrared and visible range by fits to a Drude-Lorentz model, using exact formula for the thin film optics and the measured properties of the substrate. The phonon modes were identified and verified with lattice dynamical calculations for the ideal and distorted perovskite structure of the material. The optical conductivity shows agreement with the double exchang…
The transition between different states in manganites can be driven by various external stimuli. Controlling these transitions with light opens the possibility to investigate the microscopic path through which they evolve. We performed femtosecond (fs) transmission electron microscopy on a bi-layered manganite to study its response to ultrafast photoexcitation. We show that a photoinduced temperature jump launches a pressure wave that provokes coherent oscillations of the lattice parameters, detected via ultrafast electron diffraction. Their impact on the electronic structure are monitored via…
The physics underlying the complex glassy phenomena, which accompany the formation of polarons in optimally doped manganites (ODM) is a cumbersome issue with many unexplained aspects. In this article we present $^{139}$La and $^{55}$Mn NMR in the temperature range 80K - 900K of ODM La$_{0.67}$Ca$_{0.33}$MnO$_3$. We show that local lattice distortions, established in the Paramagnetic (PM) phase for $T<700$K, induce a genuine spin-glass state, which for $T<T_c$ consolidates with the Ferromagnetic (FM) state into a single thermodynamic phase. Comparative NMR experiments on La$_{0.77}$Ca$_{0.23}$M…
We study the effect of uniform uniaxial strain on the ground state electronic configuration of a thin film manganite. Our model Hamiltonian includes the double-exchange, the Jahn-Teller electron-lattice coupling, and the antiferromagnetic superexchange. The strain arises due to the lattice mismatch between an insulating substrate and a manganite which produces a tetragonal distortion. This is included in the model via a modification of the hopping amplitude and the introduction of an energy splitting between the Mn e_g levels. We analyze the bulk properties of half-doped manganites and the ele…
The magnetic nature of the B-site dopants controls the magnetic phases in B-site doped manganites RE$_{1-x}$AE$_{x}$Mn$_{1-η}$B$_η$O$_3$. Different B-site dopants of equal valence, doped into the same reference manganite, lead to different magnetic phases at low temperature, which can not be explained using the valence change scenario. We focus on trivalent B-site dopants in CE-CO-OO-I manganites at half-filling $x=0.50$ to study the role of magnetic interactions between the B-site dopants and the neighboring Mn-sites by using a two-orbital double-exchange model including super-exchange intera…
Large scale Monte Carlo simulation results for the two-orbital model for manganites, including Jahn-Teller lattice distortions, are here presented. At hole density x=1/4 and in the vicinity of the region of competition between the ferromagnetic metallic and spin-charge-orbital ordered insulating phases, the colossal magnetoresistance (CMR) phenomenon is observed with a magnetoresistance ratio ~10,000% Our main result is that this CMR transition is found to be of first order in some portions of the phase diagram, in agreement with early results from neutron scattering, specific heat, and magnet…
Heterostructures of mixed-valence manganites are still under intense scrutiny, due to the occurrence of exotic quantum phenomena linked to electronic correlation and interfacial composition. For instance, if two anti-ferromagnetic insulators as LaMnO$_3$ and SrMnO$_3$ are grown in a (001)-oriented superlattice, a half-metallic ferromagnet may form, provided that the thickness is sufficiently small to allow tunneling across interfaces. In this article, we employ electronic structure calculations to show that all the layers of a (111)-oriented LaMnO$_3$|SrMnO$_3$ superlattice retain a half-metal…
The origin of the cooperative Jahn-Teller distortion and orbital-order in LaMnO3 is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and GdFeO3-type distortions and the strong Hund's rule coupling between e_g and t_2g electrons. To clarify the situation we calculate the transition temperature for the Kugel-Khomskii superexchange mechanism by using the local density approximation+dynamical mean-field method, and disentangle the effects of super-exchange from those of lattice distortions. We find that super-exchange alone would yiel…
