相关论文: When metal organic frameworks turn into linear mag…

We report on the magnetic properties of the supra-molecular compound iron(II) phthalocyanine in its alpha-form. dc- and ac-susceptometry measurements and Mossbauer experiments show that the iron atoms are strongly magnetically coupled into…

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…

Wide band gap materials are particularly relevant at high temperatures. The band gap shrinkage at higher temperatures prevents device applications with narrow band gap semiconductors. Considering $\alpha$-phase strontium cyanurate as a…

The storage of hydrogen gas (H$_2$) has presented a significant challenge that has hindered its use as a fuel source for transportation. To meet the Department of Energy's ambitious goals of achieving $50$ g L$^{-1}$ volumetric and $6.5$ wt…

A microscopic magnetic model for the spin-1/2 Heisenberg chain compound CuSe2O5 is developed based on the results of a joint experimental and theoretical study. Magnetic susceptibility and specific heat data give evidence for quasi-1D…

Metal-Organic frameworks (MOFs) are promising candidates for advanced photocatalytically active materials. These porous crystalline compounds have large active surface areas and structural tunability and are thus highly competitive with…

New hard magnetic materials with zero or low rare earth content are in demand due to the high prices of the rare earth metals. Among the candidates for such materials, we consider MnB, FeB and their alloys, because previous experiments…

Magnetism in transition metal compounds is usually considered starting from a description of isolated ions, as exact as possible, and treating their (exchange) interaction at a later stage. We show that this standard approach may break down…

Metal-organic frameworks (MOFs) with ultra-small pores offer an optimal environment to effectively capture guest molecules such as CO2. Subtle local dynamics of their frameworks, either throughout reorientation of functional groups grafted…

We report a detailed magnetotransport study of the highly anisotropic quasi-one-dimensional oxide Li$_{0.9}$Mo$_6$O$_{17}$ whose in-chain electrical resistivity diverges below a temperature $T_{\rm min} \sim$ 25 K. For $T < T_{\rm min}$, a…

Investigation of the magnetism of Cu$_3$Mo$_2$O$_9$ single crystal, which has antiferromagnetic (AF) linear chains interacting with AF dimers, reveals an AF second-order phase transition at $T_{\rm N} = 7.9$ K. Although weak…

The advent of pi-stacked layered metal-organic frameworks (MOFs) opened up new horizons for designing compact MOF-based devices as they offer unique electrical conductivity on top of permanent porosity and exceptionally high surface area.…

We present a three-dimensional Ising model where lines of equal spins are frozen in such that they form an ordered framework structure. The frame spins impose an external field on the rest of the spins (active spins). We demonstrate that…

A computation methodology based on ab initio evolutionary algorithms and the spin-polarized density functional theory was developed to predict two-dimensional (2D) magnetic materials. Its application to a model system borophene reveals an…

The electronic and magnetic properties of Mn coordinated to 1,2,4,5-tetracyanobenzene (TCNB) in the Mn-TCNB 2D metal-ligand networks have been investigated by combining scanning tunneling microscopy and X-ray magnetic circular dichroism…

Achieving large-area uniform two-dimensional (2D) metal-organic frameworks (MOFs) and controlling their electronic properties on inert surfaces is a big step towards future applications in electronic devices. Here we successfully fabricated…

Understanding the effect of chemical composition on the strength of magnetic interactions is key to the design of magnets with stronger exchange interactions. The magnetic divalent first-row transition metal (TM) thiocyanates are a class of…

Metal-organic frameworks (MOFs) have been widely investigated for challenging catalytic transformations due to their well-defined structures and high degree of synthetic tunability. These features, at least in principle, make MOFs ideally…

Most recently, Cu-hexahydroxybenzene MOF was for the time experimentally realized, through a kinetically controlled approach. Cu-HHB belongs to the family of conductive MOFs with a chemical formula of M3(C6X6)2(X=NH, O, S). Motivated by the…

Multiferroics are those materials with more than one ferroic order, and magnetoelectricity refers to the mutual coupling between magnetism and electricity. The discipline of multiferroicity has never been so highly active as that in the…