相关论文: Electronic tunability of the frustrated triangular…
CuCrS2 is a triangular lattice Heisenberg antiferromagnet with a rhombohedral crystal structure. We report on neutron and synchrotron powder diffraction results which reveal a monoclinic lattice distortion at the magnetic transition and…
Molecular magnets based on [Mo$_3$]$^{11+}$ units with one unpaired electron per trimer have attracted recent interest due to the identification of quantum spin liquid candidacy in some family members. Here, we present comprehensive…
Generally, one has two strategies to achieve magnetic frustration: through geometric means or interactions with different length scales. As the former leads to much simpler theoretical treatments it is favored and so magnetic sublattices…
Global minimum structures of neutral (Fe2O3)n clusters with n = 1-5 were determined employing the genetic algorithm in combination with ab initio parameterized interatomic potentials and subsequent refinement at the density functional…
In quantum magnetism spin dimers are typically associated with spin-singlet states. To date, $triplet$ $dimerization$ has not been observed in any 3D or quasi-2D material. With this in mind we here discuss the electronic structure of the…
Fe3PO4O3 forms a non-centrosymmetric lattice structure (space group R3m) comprising triangular motifs of Fe^{3+} coupled by strong antiferromagnetic interactions (|\Theta_{CW}| > 900 K). Neutron diffraction from polycrystalline samples…
Monoclinic semi-metallic Mo$_8$O$_{23}$ belongs to a multifunctional series of compounds showing multiple ordering phenomena that have not achieved much attention till now. Previous X-rays studies of this compound have revealed an…
We unveil the microscopic origin of largely debated magnetism in the Mo$_{3}$O$_{8}$ cluster systems. Upon considering an extended Hubbard model at 1/6 filling on the anisotropic kagom\'e lattice formed by the Mo atoms, we argue that its…
We investigated the crystal and magnetic structures of the spin-1/2 frustrated antiferromagnet Cu3Mo2O9 in which the spin system consists of antiferromagnetic chains and dimers. The space group at room temperature has been reported to be…
Based on experimental observations in A{x}MO{2} (A = Na, Li; M = Co, Ni), a model for suppression of magnetic frustration by electron doping in a nearest-neighbour antiferromagnetic triangular lattice is presented. It is found that…
Disorder induced by chemical inhomogeneity and Jahn-Teller (JT) distortions is often observed in mixed valence perovskite manganites. The main reasons for the evolution of this disorder are connected with the cationic size differences and…
Oxide double perovskites wherein octahedra formed by both 3d elements and sp-based heavy elements give rise to unconventional magnetic ordering and correlated quantum phenomena crucial for futuristic applications. Here, by carrying out…
LiOsO$_3$ is the first experimentally confirmed polar metal with ferroelectric-like distortion. One puzzling experimental fact is its paramagnetic state down to very low temperature with negligible magnetic moment, which is anomalous…
The crystal structure and the magnetism of BaMn$_2$O$_3$ have been studied by thermodynamic and by diffraction techniques using large single crystals and powders. BaMn$_2$O$_3$ is a realization of a $S = 5/2$ spin ladder as the magnetic…
121/123Sb nuclear quadrupole resonance and muon spin relaxation experiments of Mo3Sb7 revealed symmetry breakdown to a nonmagnetic state below the transition recently found at TS=50 K. The transition is characterized by a distinct lattice…
We have investigated the structural and magnetic properties of a new cubic spinel LiZn$_{2}$V$_{3}$O$_{8}$ (LZVO) through x-ray diffraction, dc and ac susceptibility, magnetic relaxation, aging, memory effect, heat capacity and $^{7}$Li…
The effect of uniaxial strain on electronic structure and magnetism in LaMnO$_3$ is studied from a model Hamiltonian that illustrates the competition between the Jahn-Teller, super exchange, and double exchange interactions. We retain in…
The spiral magnetic structure and underlying spin lattice of BiMnFe2O6 are investigated by low-temperature neutron powder diffraction and density functional theory band structure calculations. In spite of the random distribution of the Mn3+…
Recently, the mixed transition metal oxides of the form Li(Ni1-y-zCoyMnz)O2, have become the center of attention as promising candidates for novel battery material. These materials have also revealed very interesting magnetic properties due…
We combined optical spectroscopy and first principles electronic structure calculations to reveal the charge gap in the polar magnet Fe$_2$Mo$_3$O$_8$. Iron occupation on the octahedral site draws the gap strongly downward compared to the…