Robust atomic orbital in the cluster magnet LiMoO_2

N. Katayama; H. Takeda; T. Yamaguchi; Y. Yamada; K. Iida; M. Takigawa; Y. Ohta; H. Sawa

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Robust atomic orbital in the cluster magnet LiMoO_2

机译：群体磁铁中的鲁棒原子轨道Limoo_2

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In this study, we present a rutile-related material, LiMoO_2, that becomes a cluster magnet and exhibits a spin singlet formation on a preformed molybdenum dimer upon cooling. Unlike ordinary cluster magnets, the atomic d_(yz) orbital robustly survives despite the formation of molecular orbitals, thereby affecting the magnetic properties of the selected material. Such hybrid cluster magnets with the characters of molecular and atomic orbitals realize multiple independent spins on an isolated cluster, leading to an ideal platform to study the isolated spin dimers physics.

机译：在这项研究中，我们提出了一种金红石相关的材料，Limoo_2，其成为簇磁体，并且在冷却时在预制钼二聚体上表现出旋转单态形成。与普通簇磁体不同，尽管形成分子轨道，原子D_（yz）轨道稳健地存活，从而影响所选材料的磁性。这种杂种簇磁体具有分子和原子轨道的特征，实现了在隔离集群上的多个独立旋转，导致理想的平台来研究分离的旋转二聚体物理学。

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来源
《Physical review》 |2020年第8期|081106.1-081106.6|共6页
作者
N. Katayama; H. Takeda; T. Yamaguchi; Y. Yamada; K. Iida; M. Takigawa; Y. Ohta; H. Sawa;
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Department of Applied Physics Nagoya University Furo-cho Chikusa-ku Nagoya Aichi 464-8603 Japan;

Institute for Solid State Physics University of Tokyo Kashiwa Chiba 277-8581 Japan;

Department of Physics Chiba University 1-33 Yayoi-cho Inage-ku Chiba 263-8522 Japan;

Department of Applied Physics Nagoya University Furo-cho Chikusa-ku Nagoya Aichi 464-8603 Japan;

Neutron Science and Technology Center Comprehensive Research Organization for Science and Society (CROSS) Tokai Ibaraki 319-1106 Japan;

Institute for Solid State Physics University of Tokyo Kashiwa Chiba 277-8581 Japan;

Department of Physics Chiba University 1-33 Yayoi-cho Inage-ku Chiba 263-8522 Japan;

Department of Applied Physics Nagoya University Furo-cho Chikusa-ku Nagoya Aichi 464-8603 Japan;

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专利

1. Robust atomic orbital in the cluster magnet LiMoO2 [J] . Katayama N., Takeda H., Yamaguchi T., Physical review, B . 2020,第8期

机译：集群磁铁中的鲁棒原子轨道
2. A Simple Demonstration of Atomic and Molecular Orbitals Using Circular Magnets [J] . Maharudra Chakraborty, Subrata Mukhopadhyay, Ranendu Sekhar Das Journal of Chemical Education . 2014,第9期

机译：使用圆形磁铁简单演示原子和分子轨道
3. Trigonal Bipyramidal Spin Clusters with Orbitally Degenerate 5d Cyano Complexes [Os~(III)(CN)_6]~(3-),Prototypes of High-Temperature Single-Molecule Magnets [J] . V.S.Mironov Doklady Physical Chemistry . 2007,第0期

机译：具有轨道简并5d氰基配合物[Os〜（III）（CN）_6]〜（3-）的三角双锥自旋簇，高温单分子磁体的原型。
4. Hydrogen chemisorption on the Si(111) the square root of 3× the square root of 3R30°-Al, -Ga, -B surfaces: An ab initio HF/DFT molecular orbital modelling using atomic clusters [C] . Sanwu Wang, M. W. Radny, P. V. Smith Symposium D on Computational Modeling of Issues in Materials Science . 1997

机译：Si（111）上的氢化学吸附3×330° - κB，-GA，-B表面的平方根：AB初始HF / DFT分子轨道模拟使用原子簇
5. Spin-orbit interaction in quantum frustrated magnets [D] . Chen, Gang 2010

机译：Quantum令人沮丧的磁铁中的旋转轨道相互作用
6. ORBITING CLUSTERS IN ATOMIC NUCLEI [O] . Linus Pauling 1969

机译：绕原子核团簇
7. Spin and orbital magnetic moments of isolated single molecule magnets and transition metal clusters [O] . Tombers Matthias 2015

机译：孤立的单分子磁体和过渡金属簇的自旋和轨道磁矩

Robust atomic orbital in the cluster magnet LiMoO_2

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