Related papers: Ab initio prediction on ferrotoroidic olivine Li4M…
The crystal structure of Fe3O4 below the 122 K Verwey transition has been refined using high-resolution X-ray and neutron powder diffraction data. The refinements give direct evidence for charge ordering (CO) over four independent…
We present the synthesis and study of the magnetic and electronic properties of NiFe2O4/{\gamma}-Al2O3/SrTiO3 heterostructure. The {\gamma}-Al2O3/SrTiO3 interface hosts a high-mobility two-dimensional electron gas (2DEG) with large…
An orthorhombic compound, NaMnSbO4, represents a square net of magnetic Mn2+ ions residing in vertex-shared oxygen octahedra. Its static and dynamic magnetic properties were studied using magnetic susceptibility, specific heat,…
From magnetic susceptibility, dielectric permittivity, electric polarization and specific heat measurements, we discover spin-induced ferroelectricity and magnetoelectric coupling in Mn3TeO6 and observe two successive magnetic transitions…
The structural and magnetic properties of Mn$_2$FeSbO$_6$ single-crystalline mineral and ceramic samples synthesized under thermobaric treatment have been investigated, and compared to theoretical predictions based on first-principles…
Neutron inelastic scattering and diffraction techniques have been used to study the MnV2O4 spinel system. Our measurements show the existence of two transitions to long-range ordered ferrimagnetic states; the first collinear and the second…
Compounds with distorted perovskite structure of the 4-f and 3-d transition metals with the common formula LnTO3 (where Ln is rare-earth element, T is an element from the Fe group) are the most multifold binary oxides of these two groups…
Beyond conventional electric and magnetic monopoles, electric and magnetic toroidal monopoles, which are rank-0 multipoles distinguished by opposite parities under spatial inversion and time reversal, can exist in nature. The recent…
The magnetic and structural properties of polycrystalline Co$_{4-x}$ Ni$_x$ Nb$_2$ O$_9$ (x=1,2) have been investigated by neutron powder diffraction, magnetization and heat capacity measurements, and density functional theory (DFT)…
The spinel-structured lithium manganese oxide (LiMn$_2$O$_4$) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully understood. Here, we report a computational investigation of…
The compound FeMnP$_{0.50}$Si$_{0.50}$ has been studied by magnetic measurements, M\"ossbauer spectroscopy and electronic structure and total energy calculations. An unexpected high magnetic hyperfine field for Fe atoms located at the…
The ferromagnetic semiconductor Ba2NiOsO6 (Tmag ~100 K) was synthesized at 6 GPa and 1500 {\deg}C. It crystallizes into a double perovskite structure [Fm-3m; a = 8.0428(1) {\AA}], where the Ni2+ and Os6+ ions are perfectly ordered at the…
Trirutile-type LiFe$_2$F$_6$ is a charge-ordered material with Fe$^{2+}$/Fe$^{3+}$ configuration. Here its physical properties, including magnetism, electronic structure, phase transition, and charge ordering, are studied theoretically. On…
We present results based on local spin density calculations of a computational search for half-metallic (HM) antiferromagnetic (AFM) materials within the class of double perovskite structure oxides LaM'M''O3 that incorporate open shell 3d…
In search of the ferromagnetic insulators for spintronic device applications, we have studied the electronic, optical, and magnetic properties ofLa2CrNiO6(LCNO) using the first principle density functional theory (DFT)and monte carlo…
Ni2SiO4, Liebenbergite, is an example of a quasi-one-dimensional magnet made up of frustrated corner sharing triangles of Ni2+ (S = 1) ions that propagate parallel to the b axis. Ni2SiO4 is isostructural with olivine, a common mineral of…
Hybrid transition metal oxides continue to attract attention due to their multiple degrees of freedom ($e.g.$, lattice, charge, spin, and orbital) and versatile properties. Here we investigate the magnetic and electronic properties of the…
The ab initio electronic structure calculations of the Ni$_{2}$MnGa The alloy indicate that the orthorhombic 4O structure exhibits the lowest energy compared to all known martensitic structures. The 4O structure is formed by nanotwin double…
We explore the stability of structure exhibiting hybridization gaps across a broad range of binary and ternary intermetallic compositions by means of band structure and total energy calculations. This search reveals previously unknown…
Extremely large non-saturating magnetoresistance has recently been reported for a large number of both topologically trivial and non-trivial materials. Different mechanisms have been proposed to explain the observed magnetotransport…