相关论文: Prediction of Novel Li-AgII-F Compounds using Evol…
A novel metallic and magnetic transition metal oxide Ag2NiO2 is studied by means of resistivity, magnetic susceptibility, specific heat and X-ray diffraction. The crystal structure is characterized by alternating stacking of a Ni3+O2 layer…
We study a one-dimensional antiferromagnetic-elastic model with magnetic ions having spin $S=3/2$. By extensive DMRG computations and complementary analytical methods, we uncover a first-order transition from a homogeneous or…
In a previous work a model was proposed for the phase transitions of crystals with localized magnetic moments which at low temperature have a "conical" arrangement that at higher T transforms into a more symmetrical structure (depending on…
Despite decades of study, the identity of the dominant \ce{Li+}-conducting phase within the inorganic SEI of Li-ion batteries remains unresolved. While the mosaic model describes LiF/\ce{Li2O}/\ce{Li2CO3} nanocrystallites within a…
The correct stacking of hexagonal layers is used to obtain accurate estimates for the exchange and anisotropy parameters of the geometrically-frustrated antiferromagnet CuFeO$_2$. Those parameters are highly constrained by the stability of…
Structural, electronic and magnetic properties of Ti$_5$O$_9$ have been studied by \textit{ab initio} methods in low-, intermediate- and high-temperature phases. We have found the charge and orbital order in all three phases to be…
Recently, we reported an anomalous enhancement of the positive magnetoresistance beyond a critical magnetic field in Tb5Si3 in the magnetically ordered state, attributable to 'inverse metamagnetism'. This results in unusual magnetic…
HoNiSi$_{3}$ is an intermetallic compound characterized by two successive antiferromagnetic transitions at $T_{N1} = 6.3$ K and $T_{N2} = 10.4$ K. Here, its zero-field microscopic magnetic structure is inferred from resonant x-ray magnetic…
Single-crystalline UAu$_2$Si$_2$ has been grown by a floating-zone melting method, and its magnetic, thermal and transport properties have been investigated through measurements of magnetization, specific heat and electrical resistivity to…
In this article, our recent progresses about the effects of atomic substitution, magnetic field and temperature on the magnetic and magnetocaloric properties of the LaFe13-xAlx compounds are reviewed. With the increase of aluminum content,…
Magnetic spin fluctuations is one candidate to produce the bosonic modes that mediate the superconductivity in the ferrous superconductors. Up until now, all of the LaOFeAs and BaFe2As2 structure types have simple commensurate magnetic…
Layered topologically non-trivial and trivial semimetals with AFM-type ordering of magnetic sublattice are known to exhibit a negative magnetoresistance that is well correlated with AFM magnetization changes in a magnetic field. This effect…
Taking the pseudobinary C15-Laves phase compound Ce(Fe$_{0.96}$Al$_{0.04}$)$_2$ as a paradigm for studying a ferromagnetic(FM) to antiferromagnetic(AFM) phase transition, we present interesting thermomagnetic history effects in…
Based on the Density Functional Theory calculations, we propose a new pathway toward compounds featuring flat [AgF2] layers which mimic [CuO2] layers in high-temperature oxocuprate superconductor precursors. Calculations predict the dynamic…
We theoretically demonstrate that the ultrafast magnetic order dynamics in antiferromagnets is exchange-enhanced in comparison to their ferromagnetic counterparts. We provide an equation of motion for the magnetic order dynamics validated…
The phase diagram of the Al-Li system was determined by means of first principles calculations in combination with the cluster expansion formalism and statistical mechanics. The ground state phases were determined from first principles…
We predict Co-based chalcogenides with a diamond-like structure can host unconventional high temperature superconductivity (high-$T_c$). The essential electronic physics in these materials stems from the Co layers with each layer being…
Based on density functional theory band structure calculations, quantum Monte-Carlo simulations, and high-field magnetization measurements, we address the microscopic magnetic model of BaAg2Cu[VO4]2 that was recently proposed as a spin-1/2…
Li$_2$AuH$_6$ and Li$_2$AgH$_6$ have been proposed as promising candidates for high-temperature superconductors under ambient pressure. While previous studies confirm the dynamic stability of these two thermodynamically unstable systems,…
The structural and physical properties of two single-grain Au-Al-Gd 1/1 approximant crystals (ACs) with analyzed compositions Au73.67Al12.24Gd14.09 and Au74.67Al11.35Gd13.98 were thoroughly investigated. The two variants are iso-structural…