Related papers: An iron(III) phosphonate cluster containing a nona…

The possibility of half-metallic antiferromagnetism, a special case of ferrimagnetism with a compensated magnetization, in the diluted magnetic semiconductors is highlighted on the basis of the first principles electronic structure…

The iron arsenide Sr2CrO3FeAs with the tetragonal Sr2GaO3CuS-type structure was synthesized and its crystal structure re-determined by neutron powder diffraction. In contrast to previous X-ray crystallographic studies, a mixed occupancy of…

Aluminum monofluoride (AlF) is a suitable molecule for laser cooling and trapping. Such experiments require an extensive spectroscopic characterization of the electronic structure. Two of the theoretically predicted higher lying triplet…

MCrS2 compounds (M=Li, Na, K, Cu, Ag, and Au) with triangular Cr layers show large variety of magnetic ground states ranging from 120-degree antiferromagnetic order of Cr spins in LiCrS2 to double stripes in AgCrS2, helimagnetic order in…

The recently discovered material Cs$_3$Fe$_2$Br$_9$ contains Fe$_2$Br$_9$ bi-octahedra forming triangular layers with hexagonal stacking along the $c$ axis. In contrast to isostructural Cr-based compounds, the zero-field ground state is not…

Magnetic and transport properties of Ge(1-x-y)Mn(x)Eu(y)Te crystals with chemical compositions 0.041 < x < 0.092 and 0.010 < y < 0.043 are studied. Ferromagnetic order is observed at 150 < T < 160 K. Aggregation of magnetic ions into…

Oxygen solubility in solid iron is extremely low, even at high pressures and temperatures. Thus far, no Fe-O compounds between Fe and FeO endmembers have been reported experimentally. We observed chemical reactions of Fe with FeO or…

We investigate partially disordered antiferromagnetism in CoCl$_2$-2SC(NH$_2$)$_2$, in which a-b plane hexagonal layers are staggered along the c-axis, rather than stacked. A robust 1/3 state forms in applied magnetic fields which the spins…

The insulating iron compounds Eu$_2$SrFe$_2$O$_6$ and Sr$_3$Fe$_2$O$_4$Cl$_2$ have high-temperature antiferromagnetic (AF) order despite their different layered structures. Here we carry out density functional calculations and Monte Carlo…

Amorphous phosphorus (a-P) has long attracted interest because of its complex atomic structure, and more recently as an anode material for batteries. However, accurately describing and understanding a-P at the atomistic level remains a…

Half-metallic ferromagnetism (HMFM) occurs rarely in materials and yet offers great potential for spintronic devices. Recent experiments suggest a class of compounds with the `ThCr$_{2}$Si$_{2}$' (122) structure -- isostructural and…

By systematic first-principles calculations, we study the electronic structure and magnetic property of SrCrO$_3$. Our results suggest that SrCrO$_3$ is a weakly correlated antiferromagnetic (AF) metal, a very rare situation in…

Spin correlations in metallic and insulating phases of $V_2O_3$ and its derivatives are investigated using magnetic neutron scattering. Metallic samples have incommensurate spin correlations varying little with hole doping. Paramagnetic…

The synthesis, structure, and elementary magnetic and electronic properties are reported for layered compounds of the type Na3-xMIr2O6 and Na3-xM2IrO6, where M is a transition metal from the 3d series (M=Zn, Cu, Ni, Co, Fe and Mn). The…

Positively charged cluster ions of phosphorus were formed upon electron ionization of doped helium nanodroplets. The vapors of red phosphorus and a phosphate sample were picked up into neutral and charged helium nanodroplets. Independent on…

We show that the magnetism of double perovskite AFe_{1/2}M_{1/2}O_3 systems may be described by the Heisenberg model on the simple cubic lattice, where only half of sites are occupied by localized magnetic moments. The nearest-neighbor…

Earlier investigation of Co_{0.2}Zn_{0.8}Fe_{1.95}Ho_{0.05}O_{4} spinel has shown the existence of "super-ferromagnetic " clusters containing Fe^{3+} and Ho^{3+} ions along with small size clusters of Fe^{3+} ions (Bhowmik et al, J. Magn.…

In this work, we have studied the chemical and magnetic interactions of Fe_n; n <= 6, clusters with a divacancy site in a graphene sheet by ab-initio density functional calculations. Our results show significant chemical interactions…

Using the density functional theory, we perform a full atomic relaxation of the bulk ferrite with 12.5%-concentration of monoatomic interstitial Cr periodically located at the edges of the bcc Fe$_\alpha$ cell. We show that structural…

Ac and dc magnetization and heat-capacity (C) measurements performed on the pseudo-one-dimensional compound Sr$_3$CuIrO$_6$ reveal a competition between antiferromagnetic (AF) and ferromagnetic (F) exchange couplings, as evidenced by…