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The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…

Strongly Correlated Electrons · Physics 2015-05-13 Wei Wu

We present a $^{209}$Bi and $^{17}$O NMR study of the Mn electron spin correlations developed in the charge ordered state of Bi$_{0.5}$Sr$_{0.5}$MnO$_{3}$ and Bi$_{0.5}$Ca$_{0.5}$MnO$_{3}$. The unusually large local magnetic field…

The transfer of charges, including electrons and holes, is a key step in heterogeneous catalysis, taking part in the reduction and oxidation of adsorbate species on catalyst surfaces. In plasmonic catalysis, electrons can transfer from…

Materials Science · Physics 2024-08-13 Robin E. Moorby , Valentina Parravicini , Thomas-C. Jagau , Maristella Alessio

We derive a Debye-H\"uckel-like model of the electric ion-ion interaction for non-constant dielectric susceptibility, which does not depend on any kind of charging process due to its foundation in the general framework of non-equilibrium…

Chemical Physics · Physics 2025-02-24 Wolfgang Dreyer , Rüdiger Müller

We report the observation of quantized translational and rotational motion of molecular hydrogen inside the cages of C60. Narrow infrared absorption lines at the temperature of 6K correspond to vibrational excitations in combination with…

Close-packed chalcogenide spinels, such as MgSc$_2$Se$_4$, MgIn$_2$S$_4$ and MgSc$_2$S$_4$, show potential as solid electrolytes in Mg batteries, but are affected by non-negligible electronic conductivity, which contributes to…

The magnetic response of CaK(Fe$_{0.949}$Ni$_{0.051}$)$_4$As$_4$ was investigated by means of the muon-spin rotation/relaxation. The long-range commensurate magnetic order sets in below the N\'{e}el temperature $T_{\rm N}= 50.0(5)$~K. The…

We propose a ferromagnetic Heusler alloy that can switch between a metal and a half-metal. Thiseffect can provide tunable spintronics properties. Using the density functional theory (DFT) withreliable implementations of the electron…

Temperature dependent magnetization study on single phase orthorhombic Ruddlesden-Popper manganite Ca3Mn2O7 evidences antiferromagnetic (AFM) ordering below 123K. Field-dependent magnetization M(H) depicts off-centered hysteretic loops…

Materials Science · Physics 2019-09-10 Pooja Sahlot , A. M. Awasthi

Magneto-dielectric spectra of La0.95Ca0.05CoO3 covering the crossover of spin states reveals strong coupling of its spin and dipolar degrees of freedom. Signature of spin-state transition at 30K clearly manifests in magnetization, supported…

Materials Science · Physics 2016-02-29 Suchita Pandey , Jitender Kumar , A. M. Awasthi

Single crystals of a novel ruthenate, Ca2Ru2O7, were obtained. An X-ray diffraction study on a single crystal revealed that this material crystallizes in a pyrochlore structure with a lattice parameter, a = 10.197 Angstroms. The magnetic…

Materials Science · Physics 2009-11-11 Taiya Munenaka , Hirohiko Sato

Exploration of metal clusters (MCs) adaptive to both aqueous and oil phases without disturbing their size is promising for a broad scope of applications. The state-of-the-art approach via ligand-binding may perturb MC size due to varied…

Chemical Physics · Physics 2019-04-26 Su-Yun Zhang , Zdravko Kochovski , Hui-Chun Lee , Yan Lu , Jie Zhang , Jian-Ke Sun , Jiayin Yuan

The uniquely characteristic macrostructures of binary hydrogen-clathrate compounds $M$H$_\textrm{n}$ formed at high pressure, a cage of hydrogens surrounding a central-atom host, is theoretically predicted in various studies to include…

Superconductivity · Physics 2020-06-22 Dale R. Harshman , Anthony T. Fiory

The magneto-electric (ME) coupling on spin-wave resonances in single-crystal Cu2OSeO3 was studied by a novel technique using electron spin resonance combined with electric field modulation. An external electric field E induces a magnetic…

Strongly Correlated Electrons · Physics 2015-06-04 A. Maisuradze , A. Shengelaya , H. Berger , D. M. Djokić , H. Keller

Formation of the complex structure with 16 atoms in the orthorhombic cell, space group Cmca (Pearson symbol oC16) was experimentally found under high pressure in the alkali elements (K, Rb, Cs) and polyvalent elements of groups IV (Si, Ge)…

Materials Science · Physics 2013-05-24 Valentina F. Degtyareva

Optical conductivity data s(w) of the colossal magneto-resistance (CMR) pyrochlore Tl2Mn2O7 are presented as functions of temperature (T) and externalmagnetic field (B). Upon cooling and upon applying B near the Curietemperature, where the…

Strongly Correlated Electrons · Physics 2009-11-07 H. Okamura , T. Koretsune , M. Matsunami , S. Kimura , T. Nanba , H. Imai , Y. Shimakawa , Y. Kubo

The beryllides MBe13 (M = rare earths and actinides) crystallize in a NaZn13-type cubic structure, which can be categorized as a cage-structured compound. In this study, powder X-ray diffraction measurements have been performed on LaBe13,…

Strongly Correlated Electrons · Physics 2018-05-03 Hiroyuki Hidaka , Ryoma Nagata , Chihiro Tabata , Yusei Shimizu , Naoyuki Miura , Tatsuya Yanagisawa , Hiroshi Amitsuka

Magnetic excitations of the filled skutterudite PrRu4P12 exhibiting a metal-insulator (M-I) transition at TM-I= 63 K were studied by inelastic neutron scattering experiment. The spectra at temperatures much lower than TM-I are described as…

In the ferromagnetic metallic state of the colossal magnetoresistive (CMR) manganite La1.2Sr1.8Mn2O7, the spin density distribution is essentially in agreement with the standard picture in which the unpaired electrons occupy the three t2g…

Soft Condensed Matter · Physics 2009-11-07 D. N. Argyriou , P. J. Brown , J. S. Gardner , R. H. Heffner

We present the specific heat, magnetization, optical spectroscopy measurements and the firstprinciple calculations on the Weberite structure Ca2Os2O7 single crystal/polycrystalline sample. The Ca2Os2O7 shows a Curie-Weiss nature at high…

Strongly Correlated Electrons · Physics 2015-06-11 P. Zheng , Y. G. Shi , Q. S. Wu , G. Xu , T. Dong , Z. G. Chen , R. H. Yuan , B. Cheng , K. Yamaura , J. L. Luo , N. L. Wang