First-principles study of the interaction between H/He impurities and vacancy in tetragonal Be$$_{12}$$Ti

Research Progress of Actinide Single Molecule Magnets

“…图 13 化合物 22 的结构(a)及 χT-T 曲线图(原点为实验值, 红线为拟 合曲线, 灰线为"从头算"计算曲线) (b) [42] Figure 13 The structure of the complex 22 (a) and χT-T plot (experimental (symbols), fitted (red line) and ab initio calculated (grey line)) (b) [42] . Copyright 2019, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim 2020 年, Arnold 课题组 [43] 报道了一例四配位中性的 三价铀[(BDI)U(ODipp [43] Figure 14 The structure of the complex 23 (a) and log τ versus T −1 in a 500 Oe static field (b) [43] .…”

“…散 [10][11] , 因此在多核金属体系中, 更容易发生强烈的磁 相互作用, 从而便于探究磁弛豫机理. 然而, 相较镧系 及过渡金属单分子磁体的发展 [12][13][14][15] , 5f 区的锕系单分子 磁体的研究明显滞后, 而且磁构关系与磁弛豫机理尚不 清晰. 2014～2017 年, Liddle [16] 、Long [17] 和 Tuna [18] 等分 别对锕系单分子磁体的研究进展进行了较为系统的总 结, 并就提升 f 区元素的单分子磁体磁学性能给出了一 些大体的策略及建议 [19] .…”

Tuning spin dynamics of binuclear Dy complexes using different nitroxide biradical derivatives

“…1 SMMs are regarded as highly appealing candidates for high-density information storage, quantum computing, and molecular spintronics. [2][3][4][5][6][7] Recently, lanthanide-based SMMs have garnered significant attention because lanthanide ions have intrinsically remarkable magnetic anisotropy which can be enhanced by cleverly designing crystal field environments. 8,9 Such crystal field engineering could tune the crystal field for matching with the electron density of lanthanide ions (an axial crystal field for oblate ions; an equatorial crystal field for prolate ions), thus suppressing quantum tunneling of magnetization (QTM) to maximize magnetic anisotropy.…”

Circularly polarized luminescence and magneto-optic effects from chiral Dy(iii) single molecule magnets

“…[1][2][3] Among them, a single molecule magnet (SMM) may be an active magnetic material, and significant progress has been made in the synthesis of the molecules and understanding their physics. [4][5][6] Lanthanide compounds with double decker structures could even exhibit a magnetic memory effect at the molecular scale at a temperature of up to 80 K, 7 higher than the liquid nitrogen temperature, shedding light on potential applications in molecular spintronics and quantum information technology at laboratory-feasible temperatures. [8][9][10][11] As a quantum information material, the readout of the magnetic state of magnetic molecules needs to be solved.…”