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研究在二硼化锰中夹着锰层的坚固蜂窝状硼烯。

Investigating Robust Honeycomb Borophenes Sandwiching Manganese Layers in Manganese Diboride.

作者信息

Ma Shuailing, Bao Kuo, Tao Qiang, Xu Chunhong, Feng Xiaokang, Zhu Pinwen, Cui Tian

机构信息

State Key Laboratory of Superhard Materials, Jilin University , Changchun 130012, China.

出版信息

Inorg Chem. 2016 Nov 7;55(21):11140-11146. doi: 10.1021/acs.inorgchem.6b01685. Epub 2016 Oct 27.

Abstract

We report a robust honeycomb boron layers sandwiching manganese layers compound, MnB, synthesized by high pressure and high temperature. First-principle calculation combined with X-ray photoelectron spectrum unravel that the honeycomb boron structure was stabilized by filling the empty π-band via grabbing electrons from manganese layers. Honeycomb boron layers sandwiching manganese layers is an extraordinary prototype of this type of sandwiched structure exhibiting electronic conductivity and ferromagnetism. Hydrostatic compression of the crystal structure, thermal expansion, and the hardness testing reveal that the crystal structure is of strong anisotropy. The strong anisotropy and first-principle calculation suggests that B-B bonds in the honeycomb boron structure are a strong directional covalent feature, while the Mn-B bonds are soft ionic nature. Sandwiching honeycomb boron layers with manganese layers that combine p-block elements with magnetic transition metal elements could endow its novel physical and chemical properties.

摘要

我们报道了一种通过高压高温合成的、由锰层夹在蜂窝状硼层之间的化合物MnB。第一性原理计算结合X射线光电子能谱揭示,通过从锰层夺取电子填充空的π带,蜂窝状硼结构得以稳定。锰层夹在蜂窝状硼层之间是这种夹心结构的一个非凡原型,表现出电子导电性和铁磁性。晶体结构的静水压缩、热膨胀和硬度测试表明,该晶体结构具有很强的各向异性。这种强各向异性和第一性原理计算表明,蜂窝状硼结构中的B-B键具有很强的方向性共价特征,而Mn-B键具有软离子性质。将p族元素与磁性过渡金属元素结合的锰层夹在蜂窝状硼层之间,可以赋予其新颖的物理和化学性质。

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