Origin of charge-orbital order in the half-doped manganites

The microscopic origin of the charge and orbital order in the half-doped manganites is examined from ab initio density-functional calculations and exact diagonalization studies. It is shown that the dominant mechanism responsible for the charge order is the Jahn-Teller coupling, with a lesser but significant contribution from the on-site Coulomb interaction. The band structure shows a sizable interchain coupling between the zigzag chains, leading to a considerable band dispersion normal to the chains, in sharp contrast with the zigzag chain physics.     

半掺杂Sm0.5Ca0.5MnO3体系的电荷有序和再入型自旋玻璃行为

研究了半掺杂锰氧化物Sm0.5Ca0.5MnO3体系的结构、输运和磁特性,结果表明,在半掺杂情况下,该体系呈现O′类正交结构,表明体系存在典型的Jahn-Teller效应畸变;输运结果在整个测量温区均呈现半导体导电行为,没有出现金属-绝缘体(M-I)转变和CMR效应;电荷有序转变发生在T=270K左右,反铁磁转变温度出现在200K附近,且表现出典型的再入型自旋玻璃(spin-glass)行为,自旋玻璃转变温度TSG在41K附近,同时,观察到了存在于该体系中负的磁化异常,表明半掺杂的Sm0.5Ca0.5MnO3基态存在有多种复杂而丰富的磁相互作用之间竞争机制,其研究将为强关联锰氧化物体系物理机理的理解提供丰富的实验资料.     

Influence of the granule size on the magnetocaloric properties of manganite La0.5Ca0.5MnO3

The influence of the granule size on the magnetic and magnetocaloric properties of ceramic sample of manganite La_0.5Ca_0.5MnO₃ has been investigated. Anomalies indicating the coexistence of the ferromagnetic metallic and antiferromagnetic charge-ordered phases below T _C have been found in the temperature dependence of the magnetocaloric effect. It has been shown that a decrease in the granule size to 90 nm leads to the complete suppression of the antiferromagnetic charge-ordered phase.     

Strain effects in charge-ordered Pr0.5Ca0.5MnO3 manganite thin films

Thin films of the charge-ordered (CO) compound Pr_0.5Ca_0.5MnO₃ have been grown by utilizing the Pulsed Laser Deposition technique. Films are deposited onto LaAlO₃ and SrTiO₃ substrates in order to check the effect of strains (compression and tensile). Using various techniques of characterization, we show that the strains of substrate influence the lattice parameters, the orientation of the orthorhombic structure, the transport properties and the stability of the CO state.     

Oxygen stripes in La0.5Ca0.5MnO3 from ab initio calculations

We investigate the electronic, magnetic, and orbital properties of La0.5Ca0.5MnO3 perovskite by means of an ab initio electronic structure calculation within the Hartree-Fock approximation. Using the experimental crystal structure reported by Radaelli et al. [Phys. Rev. B 55, 3015 (1997)]], we find a charge-ordering stripelike ground state. The periodicity of the stripes, and the insulating magnetic structure, consisting of antiferromagnetically coupled zigzag chains, are in agreement with neutron x-ray and electron diffraction experiments. However, the detailed structure is more complex than that envisaged by simple models of charge and orbital order on Mn d levels alone, and is better described as a charge-density wave of oxygen holes, coupled to the Mn spin/orbital order.     

Magnetocaloric effect in nano- and polycrystalline manganite La0.7Ca0.3MnO3

La_0.7Ca_0.3MnO₃ samples were prepared in nano- and polycrystalline forms by the sol–gel and solid state reaction methods, respectively, and structurally characterized by synchrotron X-ray diffraction. The magnetic properties determined by ac susceptibility and dc magnetization measurements are discussed. The magnetocaloric effect in this nanocrystalline manganite is spread over a broader temperature interval than in the polycrystalline case. The relative cooling power of the poly- and nanocrystalline manganites is used to evaluate a possible application for magnetic cooling below room temperature. PACS 75.30.Sg; 75.47.Lx; 77.80.Bh     

Pressure induced magnetic phase separation in La0.75Ca0.25MnO3 manganite

The pressure dependence of the Curie temperature T(C)(P) in La(0.75)Ca(0.25)MnO(3) was determined by neutron diffraction up to 8 GPa, and compared with the metallization temperature T(IM)(P) (Postorino et al 2003 Phys. Rev. Lett. 91 175501). The behavior of the two temperatures appears similar over the whole pressure range, suggesting a key role of magnetic double-exchange also in the pressure regime where the superexchange interaction is dominant. The coexistence of antiferromagnetic and ferromagnetic peaks at high pressure and low temperature indicates a phase separated regime which is well reproduced with a dynamical mean-field calculation for a simplified model. A new P-T phase diagram has been proposed on the basis of the whole set of experimental data.     

Dielectric loss of half-doped manganite La_(0.5)Ca_(0.5)MnO_3

The dielectric loss tanδ of half-doped manganite La 0.5 Ca 0.5 MnO 3 is investigated using Green's function technique. The La 0.5 Ca 0.5 MnO 3 is described by the Kondo-lattice model in the double exchange limit, taking into account the Jahn-Teller distortion and the super-exchange interaction between the localized electrons. It is found that the intensity of tanδ decreases with increasing | ε JT |, V, and U. It is also observed that the transition temperature T P rises as | ε JT | and U increase. It is worth noting that T P remains unchanged and the strength of tanδ increases with increasing g. The calculated dielectric loss results are explained theoretically, and these behaviors are in qualitative agreement with the experimental results.     

脱氧La0.5Ca0.5MnO3样品的铁磁-反铁磁转变和电阻率变化

研究了氧空位对La0.5Ca0.5MnO3 (LCMO)多晶块材的电输运和磁性质的影响. 随着氧空位的增加, 样品在高温段的电阻率一直增加, 并满足绝热小极化子模型, 而低温段的电阻率先下降后上升, 并出现明显的dR/dT>0的行为, 直至最后变为绝缘的. 氧空位的增加抑止了反铁磁相的出现, 使得脱氧的LCMO样品不发生反铁磁转变, 进一步增加氧空位则会抑制铁磁相.     

Substantial Ca doping site effect on structure of La0.5Ca0.5MnO3 at low temperature

Six possible structures of La_0.5Ca_0.5MnO₃ corresponding to different Ca doping sites are studied at low temperature using atomistic simulation techniques. It is found that Ca doping site has substantial effect on structure of La_0.5Ca_0.5MnO₃ and this effect may explain the existence of four similar phases with slightly different lattice parameters in La_0.5Ca_0.5MnO₃ at low temperature. Structures I and II are found to be favorable La_0.5Ca_0.5MnO₃ structures. They have an ordering arrangement of La³⁺ and Ca²⁺ ions and different arrangements of Mn³⁺ and Mn⁴⁺ ions, which may affect the charge, orbital and magnetic ordering in La_0.5Ca_0.5MnO₃ at low temperature.     

X-ray spectra and valence states of cations in nanostructured half-doped $$\hbox {La}_{0.5}\hbox {Ca}_{0.5}\hbox {MnO}_{3}$$ manganite

Soft X-ray absorption (XAS) and emission (XES) spectroscopies were applied to determine valence states of manganese ions in nanostructured powder of half-doped \(\hbox {La}_{0.5}\hbox {Ca}_{0.5}\hbox {MnO}_{3}\) manganite obtained by milling in a ball mill. XAS spectra were measured both in surface-sensitivity total electron-yield and in bulk-sensitivity total fluorescence-yield modes. O K\(_{\upalpha }\) XES and O 1s XAS spectra characterized the occupied and unoccupied partial O 2p densities of states are compared with band-structure calculations made using the TB-LMTO-ASA codes. Experimental Mn 2p, Ca 2p, and La 3\(d\) XAS spectra are compared with results of crystal field atomic multiplet calculations. For the nanostructured system of \(\hbox {La}_{0.5}\hbox {Ca}_{0.5}\hbox {MnO}_{3}\), concentrations of Mn\(^{4+}\) ions are found to be increased with increasing the time of milling.     

La0.4Ca0.6MnO3系统中Mn位Fe和Cr掺杂效应的比较性研究

利用固相反应法制备了Mn位Fe³⁺和Cr³⁺掺杂的系列锰氧化物La_0.4Ca_0.6(Mn_1-x(y)B_x(y))O₃ (B=Fe³⁺ (0≤x≤0.1); Cr³⁺ (0≤y≤0.1)) 多晶样品,研究了掺杂对样品输运性质的影响.实验结果表明两种离子具有截 关键词： 锰氧化物 反铁磁 磁电阻效应     

Ordering of polarons in Pr0.5Ca0.5MnO3

We report detailed dielectric investigations of Pr_1?xCa_xMnO₃ (PCMO, x=0.5) ceramics, a member of the perovskite manganite family that exhibits a colossal magnetoresistance. Analysis of the electrical conductivity and dielectric constant data revealed that in the low temperature phase, below 42 K, small polarons are responsible for the charge transport in the system. This provides a new understanding of the phase diagrams in PCMO systems     

Nonlinear optical spectroscopy of (La0.6Pr0.4)0.7Ca0.3MnO3 manganite

The electronic structure of doped orthorhombic (La_0.6Pr_0.4)_0.7Ca_0.3MnO₃ manganite is studied using the second optical harmonic generation method. The analysis of the frequency and polarization dependence of the intensity related to the second harmonic demonstrates that the applied magnetic field stimulates a transition of spin-polarized electrons from the d orbitals of Mn ions to the p orbitals of O₂ ligands. The manifestation of such transition in the orthorhombic RMnO₃ manganite with the distorted crystal lattice is attributed to the dipole-forbidden electronic transitions arising in the applied magnetic field. The mechanism of magnetooptical activity induced by the charge transfer between Mn and O ions is discussed.     

Colossal magnetoresistance effect in epitaxially grown La2/3Ca1/3MnO3 perovskite-like manganite thin films

We report in this work, study on colossal magnetoresistance (CMR) effect in epitaxial La_2/3Ca_1/3 MnO₃ thin films grown on SrTiO₃ (0 0 1) substrates by pulsed laser deposition (PLD) technique. The films were grown on as-received SrTiO₃ substrates and on SrTiO₃ substrates prepared by HF etching (Koster et al., Appl. Phys. Lett. 73 (1998) 2920; V. Leca et al., Wet etching methods for perovskite substrates, University of Twente, MESA+ Research Institute, Low Temperature Division). Two of the samples were annealed in different conditions to investigate the films heat treatment effect on electric and magnetic properties. Electrical resistance was done using the four-probe method at temperatures in the range of 2–375 K without a magnetic field and in an external field of 5 T applied in the film plane. Resistance-magnetic field (R vs. H) at 77 K for the two annealed samples was done in a 5 T sweep magnetic field. The surface morphology and structural information of the films were obtained using atomic force microscopy (AFM) and X-ray diffraction (XRD), respectively. Secondary ion mass spectroscopy (SIMS) analysis was performed on the annealed samples to investigate any possible chemical reaction between La_2/3Ca_1/3MnO₃ thin films and SrTiO₃ substrate.