Related papers: Antiferromagnetic Stabilization in Ti8O12
The prediction of new high entropy oxides (HEOs) remains a profound challenge due to their inherent chemical complexity. In this work, we combine experimental and computational methods to search for new HEOs in the tetravalent $A$O$_2$…
We present a thorough $^{77}$Se NMR study of a single crystal of the magnetoelectric compound Cu$_2$OSeO$_3$. The temperature dependence of the local electronic moments extracted from the NMR data is fully consistent with a magnetic phase…
We report on the CrFeTi$_2$O$_7$ (CFTO) system using a combination of x-ray diffraction, dc magnetization, ac susceptibility, specific heat and neutron diffraction measurements. CFTO is seen to crystallize in a monoclinic $P21/a$ symmetry.…
The stability, electronic and magnetic properties of Fe atoms adsorbed on the self-assembled Bi-dimer lines nanostructure on the H/Si(001) surface are addressed by spin-density functional calculations. Our results show that Fe adatoms are…
We predict general trends for surface segregation in a binary metal cluster based on the difference between the atomic properties of the constituent elements. Considering the attractive and repulsive contributions of the cohesive energy of…
We consider a mixture of single-component bosonic and fermionic atoms in an array of coupled one-dimensional "tubes". For an attractive Bose-Fermi interaction, we show that the system exhibits phase separation instead of the usual collapse.…
First principles calculations based on the density functional theory within the local spin density approximation plus U(LSDA+U)scheme, show rhombohedral Bi$_2$FeTiO$_6$ is a potential multiferroic in which the magnetism and ferroelectricity…
The finding of superconductivity in Ba0.6K0.4Fe2As2 put the attention on the investigation of compounds that crystallize with ThCr2Si2 structure type such as AT2X2 (A = alkali/ alkaline earth/ rare earth element; T = transition metal and X…
We report evidence that the experimentally observed small deformation of antiferromagnetic NiO modifies the symmetry of the crystal in such a way that the antiferromagnetic state becomes an eigenstate of the electronic Hamiltonian. This…
Using density functional theory based methods we report the structural, electronic and topological properties of the FCC crystal compound TmBi. This material is found to be dynamically stable and shows a non magnetic semimetalic character.…
This work reports the synthesis, structure and magnetic properties of the single crystal of a facile spin 1/2 one dimensional Heisenberg antiferromagnet bis(4-aminopyridinium) bis(oxalato)cuprate(II) dihydrate, (C 5 H 7 N 2 ) 2 [Cu(C 2 O 4…
Topological semimetals have energy bands near the Fermi energy sticking together at isolated points/lines/planes in the momentum space, which are often accompanied by stable surface states and intriguing bulk topological responses. Although…
Cluster structure of 16O,18O and 20O is investigated by the antisymmettrized molecular dynamics (AMD) plus generator coordinate method (GCM). We have found the K^{\pi}=0$_2^+$ and 0$_1^-$ rotational bands of 18O that have the prominent…
To study the relationship between the properties of low-dimensional spin systems with weakly coupled Cu-triangles and their crystal structure, single crystals of $Cs_3Cu_3Cl_8OH$ (1) and the new $Cs_3Cu_3Cl_{7.6}Br_{0.4}OH$ (2) were grown.…
Single crystals of EuCu2As2 and EuCu2Sb2 were grown from CuAs and CuSb self-flux, respectively. The crystallographic, magnetic, thermal and electronic transport properties of the single crystals were investigated by room-temperature x-ray…
Based on first-principles electronic structure calculations, we analyze the chemical and magnetic mechanisms stabilizing the cubic phase in Fe$_2$-based Heusler materials, which were previously predicted to be tetragonal when being…
Motivated by the idea of using simple macroscopic examples to illustrate the physics of complex systems, we modify a historic experimental setup in which interacting floating magnets spontaneously self-assemble into ordered clusters. By…
In this paper we propose a tight-binding molecular dynamics with parameters fitted to first-principles calculations on the smaller clusters and with an environment correction, to be a powerful technique for studying large transition/noble…
Frustrated quasidoublets without time-reversal symmetry can host highly unconventional magnetic structures with continuously distributed order parameters even in a single-phase crystal. Here, we report the comprehensive thermodynamic and…
We have used a scanning tunneling microscope to demonstrate that a single CuO_2 plane can form a stable and atomically ordered layer at the surface of Bi_2Sr_2CaCu_2O_{8+delta}. In contrast to previous studies on high-T_c surfaces, the…