ESR millimeter-band spectroscopy of magnetic ordering in the low-dimensional magnet CuGeO3

Resonant absorption of microwaves in CuGeO₃ single crystals in a frequency band of 40 to 120 GHz, in magnetic field B⩽15 T, at temperatures ranging between 0.5 and 300 K, and in the configuration B∥a has been investigated. Several absorption lines (S ₀, S _a, and S _b) whose parameters strongly depend on temperature have been detected close to ESR. The temperature dependence of the total absorption in the main line S ₀ with the Landé g-factor g ₀=2.154 at temperatures above the spin-Peierls transition temperature is in good agreement with Bonner and Fisher’s theoretical prediction for a one-dimensional Heisenberg spin chain. In addition to the main resonance, a resonance of smaller amplitude, S _a, with the g-factor g _a=2.72 has been detected at temperatures ranging down to a characteristic temperature T≃1 K, below which the amplitude of this feature drops to zero. A radical restructuring of the magnetoabsorption spectrum occurs at the temperature of the spin-Peierls transition T _SP≈14 K. At T<12 K new features emerge in the spectrum, namely, a broad absorption line overlapping with the narrow lines S ₀ and S _a, and a line S _b with g _b=1.83, which is not detected at temperatures above T _SP. An analysis of amplitudes and total absorption of ESR lines as functions of temperature has shown that the temperature range below 1 K is anomalous, which may be caused by an additional ordering in the CuGeO₃ magnetic subsystem at low temperatures. Zh. éksp. Teor. Fiz. 112, 1727–1738 (November 1997)     

Field-controlled phase separation at the impurity-induced magnetic ordering in the spin-Peierls Magnet CuGeO3

The paramagnetic fraction surviving at the impurity-induced antiferromagnetic phase transition in the spin-Peierls magnet CuGeO3 is found to increase with an external magnetic field. This effect is explained by the competition of the Zeeman interaction and of the exchange interaction of local antiferromagnetic clusters formed on the spin-gap background near impurities.     

Orbital ordering in LaMnO3 : electron-electron versus electron-lattice interactions

The relative importance of electron-lattice (e-l) and electron-electron (e-e) interactions in ordering orbitals in LaMnO3 is systematically examined within the local-density approximation + Hubbard U approximation of density functional theory. A realistic effective Hamiltonian is derived from novel Wannier state analysis of the electronic structure. Surprisingly, e-l interaction (approximately or = 0.9 eV) alone is found insufficient to stabilize the orbital ordered state. On the other hand, e-e interaction (approximately or = 1.7 eV) not only induces orbital ordering, but also greatly facilitates the Jahn-Teller distortion via enhanced localization. Further experimental means to quantify the competition between these two mechanisms are proposed.     

Orbital ordering in LaMnO3 investigated by resonance Raman spectroscopy

Orbital ordering leads to an unconventional excitation spectrum that we investigate by resonance Raman scattering using incident photon energies between 1.7 and 5.0 eV. We use spectral ellipsometry to determine the corresponding dielectric function. Our results show resonant behavior of the phonon Raman cross section when the laser frequency is close to the orbiton-excitation energy of 2 eV in LaMnO3. We show an excellent agreement between theoretical calculations based on the Franck-Condon mechanism activating multiphonon Raman scattering in first order of the electron-phonon coupling and the experimental data of phonons with different symmetries.     

Orbital ordering and Jahn-Teller distortion in Perovskite ruthenate SrRuO3

Local density approximation plus on-site Coulomb interaction U band structure calculations reveal that SrRuO3 exhibits a half-metallic ground state with an integer spin moment of 2.0 microB/SrRuO3. An associated tilting 4dt2g orbital ordering on a Ru sublattice is observed under the on-site Coulomb interaction U in the presence of lattice distortion. This finding unravels the on-site Coulomb correlation as the driving force of the 4d orbital ordering and Jahn-Teller distortion as well as of the half-metallic ground state.     

Orbital ordering in charge transfer insulators

We discuss a new mechanism of orbital ordering, which in charge transfer insulators is more important than the usual exchange interactions and which can make the very type of the ground state of a charge transfer insulator, i.e., its orbital and magnetic ordering, different from that of a Mott-Hubbard insulator. This purely electronic mechanism allows us to explain why orbitals in Jahn-Teller materials typically order at higher temperatures than spins, and to understand the type of orbital ordering in a number of materials, e.g., K2CuF4, without invoking the electron-lattice interaction.     

Spin-peierls magnet CuGeO3

We have reviewed research by various authors on the physical properties of CuGeO₃. The sharp drop in magnetic susceptibility and the strength of the magnetic resonance at temperatures lower than 14 K, the specific heat anomaly, the double lattice period, characteristics of the magnetic excitation spectra, and the behavior of the magnetization in strong magnetic fields all suggest this crystal is the first inorganic magnet to exhibit a spin-Peierls second-order phase transition at about 14 K. We discuss the origins of the crystal’s magnetic properties. L. V. Kirenskii Institute of Physics, Siberian Branch of the Russian Academy of Sciences. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 91–100, January, 1998. This work was performed with financial support of the Krasnoyarsk District Science Fund (Grant 6F0004).     

KCrF3中的轨道有序及其成因

强关联体系中的轨道有序及其成因一直是凝聚态物理研究的热点问题.轨道有序对于巨磁阻和 超导材料的研究有非常重要的地位.利用第一性原理计算研究了KCrF₃的四方相和立方相中的轨道有序 及其成因.在四方相中, GGA和GGA+U两种方法计算结果都表明其基态是A型反铁磁和G型轨道有序. 对于立方结构, GGA方法得出铁磁半金属态是基态,而GGA+U(U_eff = 3.0 eV)得到的基态是A型 反铁磁绝缘体. 光电导测量是少数能从实验上观察到轨道有序的方法之一,因此计算了其光电导,并结合投影态密度讨论 了KCrF₃中的轨道有序.最后找到了其轨道有序的成因:电子强关联效应,而非电-声子相互作用是其 轨道 有序的物理根源.     

New Magneto-Optical Effect in Co-Doped CuGeO3

We report the anomalous effect of the polarization dependence of electron paramagnetic resonance absorption in CuGeO₃ doped with 2% of Co. While the resonance line of Cu²⁺ chains is independent of the microwave polarization in the Faraday geometry, the resonant mode of Co impurity exhibits a strong polarization dependence for all directions of the external magnetic field. Possible reasons of such behavior are discussed. Authors' address: Alexey V. Semeno, Department of Low-Temperature and Cryogenic Engineering, A. M. Prokhorov General Physics Institute, Russian Academy of Sciences, Vavilov ulitsa 38, Moscow 119991, Russian Federation     

双层反铁磁体K3Cu2F7 中轨道序驱动的自旋二聚化

基于自旋-轨道-晶格Hamilton量,应用团簇自洽场方法,研究了双层钙钛矿结构材料K₃Cu₂F₇基态的晶格、磁及轨道结构,发现近孤立的双层的对称破缺和Jahn-Teller晶格畸变使得Cu²⁺离子在每层内交替占据 z²-x²〉/ z²-y²〉轨道,进而导致双层的层间表现为强的反铁磁耦合,层内为弱的铁磁耦合.强反铁磁耦合导致层间     

Orbital ordering and frustration of p-band Mott insulators

We investigate the general structure of orbital exchange physics in Mott-insulating states of p-orbital systems in optical lattices. Orbital orders occur in both the triangular and kagome lattices. In contrast, orbital exchange in the honeycomb lattice is frustrated as described by a novel quantum 120 degrees model. Its classical ground states are mapped into configurations of the fully packed loop model with an extra U(1) rotation degree of freedom. Quantum orbital fluctuations select a six-site plaquette ground state ordering pattern in the semiclassical limit from the "order from disorder" mechanism. This effect arises from the appearance of a zero energy flat band of orbital excitations.     

Orbital ordering in frustrated Jahn-Teller systems with 90 degrees exchange

We show that superexchange interactions in frustrated Jahn-Teller systems with transition metal ions connected by the 90 degrees metal-oxygen-metal bonds (e.g., NaNiO2, LiNiO2, and ZnMn2O4) are much different from those in materials with the 180 degrees bonds. In the 90 degrees -exchange systems spins and orbitals are decoupled: the spin exchange is much weaker than the orbital one and it is ferromagnetic for all orbital states. Though the mean-field orbital ground state is strongly degenerate, quantum orbital fluctuations select particular ferro-orbital states. We explain the orbital and magnetic ordering observed in NaNiO2 and show that LiNiO2 is not a spin-orbital liquid.     

Orbital ordering and spin-ladder formation in La2RuO5

The semiconductor-semiconductor transition of La2RuO5 is studied by means of augmented spherical wave electronic structure calculations as based on density-functional theory and the local density approximation. This transition has lately been reported to lead to orbital ordering and a quenching of the local spin magnetic moment. Our results hint towards an orbital ordering scenario which, markedly different from the previously proposed scheme, preserves the local S=1 moment at the Ru sites in the low-temperature phase. The unusual magnetic behavior is interpreted by the formation of spin ladders, which result from the structural changes occurring at the transition and are characterized by antiferromagnetic coupling along the rungs.     

Magnetostriction of the spin-Peierls magnet CuGeO3

The temperature dependence of the longitudinal magnetostriction of a CuGeO₃ single crystal is measured within the temperature range 4.2–20 K in a magnetic field of 10 T. As the temperature is raised above 4.2 K, the magnetostriction at first increases from vanishingly small values, attains a maximum at a temperature of approximately 12 K, and then abruptly drops as the temperature approaches the spin-Peierls transition. The results are interpreted on the basis of a simple model utilizing the real pattern of magnetic excitations in the spin system. Fiz. Tverd. Tela (St. Petersburg) 40, 1671–1673 (September 1998)     

CuGeO3晶体自旋-佩尔斯态的EPR

报道了CuGeO₃单晶在96GHz频率,1 4K温度下的电子顺磁共振(EPR)实验,测量了主轴g因子.导出了Cu²⁺离子在CuGeO₃自旋佩尔斯系统中的混合d轨道基态波函数.采用近似自洽场方法计算了CuGeO₃的主轴g因子.使实验结果得到了解释.     

Magnetostriction of the spin-Peierls cuprate CuGeO3

The isothermal, longitudinal magnetostriction of the spin-Peierls cuprate CuGeO₃ has been measured along the three orthorhombic directions up to 14 Tesla by means of a high resolution capacitance dilatometer. For all three axes we observe anomalies at both the dimerized/incommensurate (D/I) and the dimerized/uniform (D/U) transition whose sizes and signs differ. A precise H-T phase diagram is determined from the field and temperature dependence of the lattice constants, which roughly agrees with theoretical predictions. At the D/I transition the magnetostriction shows a jumplike behavior and a hysteresis indicating a first order transition. From the jumps of the magnetostriction at the D/I transition we estimate considerable, uniaxial stress dependences of the critical magnetic field H _c, which correlate with those of the spin-Peierls transition temperature. A finite magnetostriction is also resolved within the high temperature uniform phase of CuGeO₃ for all three lattice directions. These data show a pronounced, strongly anisotropic spin-lattice coupling in CuGeO₃ and allow to derive the uniaxial pressure dependences of the magnetic susceptibility. Based on our findings the relevance of different structural parameters for the magnetic exchange interaction is discussed.     

Magnetostriction of the spin-Peierls compound CuGeO3

The longitudinal and transverse magnetostriction λ of the spin-Peierls compound CuGeO₃ in the b-c plane is measured in magnetic fields up to 20 T both above and below the transition temperature T _sp=14.3K. It is found that for a given crystallographic direction the value of magnetostriction is weakly dependent on the magnetic field direction. In the uniform U phase at T⩾T _sp, λ is negative and approximately equal in the b and c directions, while in the dimerized D phase at T<T _sp, λ is positive and λ _b >λ _c . At low temperatures, λ increases sharply at the magnetic-field-induced transition from the dimerized to the magnetic M phase. The experimental data allow estimation of the stress derivatives of the antiferromagnetic intrachain exchange interaction parameter and of the stress dependence of the critical field of the D-Mphase transition. Pis’ma Zh. éksp. Teor. Fiz. 64, No. 3, 156–159 (10 August 1996) Published in English in the original Russian journal. Edited by Steve Torstveit.