Related papers: Interplay between Jahn-Teller instability, uniaxia…

Crystal and magnetic structures of the high-pressure stabilized perovskite phase of TlMnO3 have been studied by neutron powder diffraction. The crystal structure involves two types of primary structural distortions: a+b-b-octahedral tilting…

We study from \textit{ab~initio} density functional theory calculations the structural and magnetic properties of the crystal KCoF$_3$. We found that the experimentally reported cubic to tetragonal phase transition is due to an electronic…

We study the electronic and magnetic structures of multiferroic CaMn$_7$O$_{12}$ by first-principle calculations, based on the experimentally determined modulated crystal structure. We confirm the presence of a 3$d$ orbital modulation of…

Using first-principles total-energy methods, we investigate Jahn-Teller distortions in III-V dilute magnetic semiconductors, GaAs:Mn and GaN:Mn in the cubic zinc blende structure. The results for an isolated Mn impurity on a Ga site show…

In quantum dot circuits, screening electron clouds in strongly-coupled leads will hybridize with the states of the artificial atom. Using a three-terminal geometry, we directly probe the atomic structure of a quantum dot with Kondo…

It is shown that the d8 electron system occurring in the Ni2+ ion can have the non-magnetic ground state in the atomic scale formed by the Jahn-Teller effect. The tetragonal/trigonal off-cubic lattice distortion for the octahedral site…

We propose a mechanism for A-type antiferromagnetism in orthorombic LaMnO_3, compatible with the large Jahn-Teller splitting inferred from structural data. Orbital ordering resulting from Jahn-Teller distortions effectively leads to A-type…

We present a systematic study of the electronic structure of strained La$_3$Ni$_2$O$_7$ thin films. We show that biaxial compressive strain mainly elongates the outer apical Ni-O bond while leaving the inner apical Ni-O bond nearly…

A C$_3$-symmetric crystal-field potential in the Fe(II)Fe(III) bimetallic oxalates splits the L=2 Fe(II) multiplet into two doublets and a singlet. In compounds that exhibit magnetic compensation, one of the doublets was predicted to lie…

We studied in detail the structural relaxation and Jahn-Teller distortion in LaMnO3 (001) surface of the orthorhombic phase by means of classical atomistic simulation. It is found that MnO2-terminated surface is more energetically favorable…

We have investigated the valence, spin, and orbital state of the Co ions in the one-dimensional cobaltate Ca3Co2O6 using x-ray absorption and x-ray magnetic circular dichroism at the Co-L2,3 edges. The Co ions at both the octahedral Co_oct…

There is great interest in hybrid organic-inorganic materials such as metal-organic frameworks (MOFs). The compounds [C(NH$_{2}$)$_{3}$]M(HCOO)$_{3}$, where M=Cu$^{2+}$ or Cr$^{2+}$ are Jahn-Teller (JT) active ions, are MOF with perovskite…

The atomic pair distribution function (PDF) of stoichiometric LaMnO_3 has been measured. This has been fit with a structural model to extract the local Jahn-Teller distortion for an ideal Mn(3+)O_6 octahedron. These results are compared to…

We have used neutron powder diffraction to solve the magnetic structure of orthorhombic CoTi$_2$O$_5$, showing that the long-range ordered state below 26 K identified in our muon-spin rotation experiments is antiferromagnetic with…

The orbital, lattice, and spin ordering phenomena in KCuF3 are investigated by means of LDA+U calculations, based on ab-initio pseudopotentials.We examine the Cu-3d orbital ordering and the associated Jahn-Teller distortion in several…

CaBaFe4O7 is a mixed-valent transition metal oxide having both Fe2+ and Fe3+ ions in tetrahedral coordination. Here we characterize its magnetic properties by magnetization measurements and investigate its local electronic structure using…

We have performed a resonant x-ray scattering study at the Co pre-K edge on a single crystal of Ca3Co2O6. The measurements reveal an abrupt transition to a magnetically ordered state immediately below T_N = 25 K, with a magnetic correlation…

Resonant soft x-ray diffraction has been used to probe the temperature dependent orbital and magnetic structure of $\mathrm{LaSr_{2}Mn_{2}O_7}$. Previous crystallographic studies have shown that this material has almost no MnO$_{6}$ oxygen…

We report a comprehensive study of magnetic properties of Ni3TeO6. The system crystallizes in a noncentrosymmetric rhombohedral lattice, space group R3. There are three differently coordinated Ni atoms in the unit cell. Two of them form an…

High-pressure optical-absorption measurements performed in CuWO4 up to 20 GPa provide experimental evidence of the persistence of the Jahn-Teller (JT) distortion in the whole pressure range both in the low-pressure triclinic and in the…