Related papers: An iron(III) phosphonate cluster containing a nona…
Concentration of Cr in the Fe-rich alpha-phase, x, resulted from a phase decomposition caused by an isothermal annealing at T = 415 and 450 C of a non-irradiated (NR) Fe-Cr14 EFDA sample and that of a He-ions irradiated (IR) one annealed at…
An anomalously high valence state sometimes shows up in transition-metal oxide compounds. In such systems, holes tend to occupy mainly the ligand $p$ orbitals, giving rise to interesting physical properties such as superconductivity in…
A high-frequency (95 GHz) EPR study is reported on single crystals of the planar tetranuclear complex Fe4(OCH3)6(dpm)6 (where Hdpm = dipivaloylmethane), which has been previously shown to present typical single-molecule magnet behaviour.…
The compound, Nd7Rh3, crystallizing in Th7Fe3-type hexagonal structure, has been shown recently by us to exhibit a signature of magnetic phase-coexistence phenomenon below 10 K after a field cycling, uncharacteristic of stoichiometric…
We report on a 59Co NMR investigation of the trigonal cobaltate Ca3Co2O6 carried out on a single crystal, providing precise determinations of the electric field gradient and chemical shift tensors, and of the internal magnetic fields at the…
State-of-the-art quantum chemical methods are applied to the study of the multiorbital correlated electronic structure of a Fe-As compound, the recently discovered LiFeAs. Our calculations predict a high-spin, S=2, ground-state…
The subtle interplay between competing degrees of freedom, crystal electric fields, and spin correlations can lead to exotic quantum states in 4f ion-based frustrated triangular lattice antiferromagnets. We present the crystal structure,…
Due to the complex interactions between rare-earth elements and transition metals, as well as/or themselves, rare-earth transition-metal oxides are likely to exhibit highly intriguing and novel magnetic structures and dynamic behaviours.…
We have investigated the structure and electronic properties of ferrimagnetic double perovskites, A2FeReO6 (A= Ca, Sr, Ba). The A=Ba phase is cubic (Fm3m) and metallic, while the A=Ca phase is monoclinic (P21/n) and nonmetallic. 57Fe…
To optimize the processing conditions for the (Cr,Fe)S non-equilibrium phase with a pyrrhotite-type structure, the phase states and magnetic properties of the specimens obtained at various sintering temperatures were investigated. A…
The mineral linarite, PbCuSO$_4$(OH)$_2$, is a spin 1/2 chain with frustrating nearest neighbor ferromagnetic and next-nearest neighbor antiferromagnetic exchange interactions. Our inelastic neutron scattering experiments performed above…
Using a Dirac-Heisenberg Hamiltonian with biquadratic exchange interactions, we study the effect of iron disproportionation on the magnetic ordering, and describe the first-order magnetic transition occurring in the perovskite…
Sr$_{3}$ZnIrO$_{6}$ is an effective spin one-half Mott insulating iridate belonging to a family of magnets which includes a number of quasi-one dimensional systems as well as materials exhibiting three dimensional order. Here we present the…
LiOsO$_3$ has been recently identified as the first unambiguous "ferroelectric metal", experimentally realizing a prediction from 1965 by Anderson and Blount. In this work, we investigate the metallic state in LiOsO$_3$ by means of infrared…
Recent developments in higher-order topological phases have elucidated on the relationship between nontrivial multipole moments in the bulk and the emergence of fractionally quantized charges at the boundary. Here, we put on the table a…
The compressive mechanical behavior of a dual phase cobalt alloy (Al$_{14}$Co$_{41}$Cr$_{16}$Fe$_{11}$Ni$_{18}$) is reported in this communication. An uncommon triple yielding phenomenon is observed in the as-cast condition. Microstructural…
In this work, we employ density functional theory (DFT) to explore the structure of boron clusters doped with two aluminium atoms (B$_7$Al$_2$ or Al$_2$B$_7$). The results show that the most stable structure is a bipyramidal configuration…
The two-orbital model for manganites with both non-cooperative and cooperative Jahn-Teller phonons is studied at hole density x=0.5 using Monte Carlo techniques. The phase diagram is obtained varying the electron-phonon coupling and the…
Owing to their exceptional chemical and electronic tunability, metal-organic frameworks can be designed to develop magnetic ground states making a range of applications feasible, from magnetic gas separation to the implementation of…
The ground-state electronic, structural, and magnetic properties of small silver clusters, Ag$_n$ (2$\le$n$\le$22), have been studied using a linear combination of atomic Gaussian-type orbitals within the density functional theory. The…