High-Pressure Synthesis and Chemical Bonding of Barium Trisilicide BaSi3
High-Pressure Synthesis and Chemical Bonding of Barium Trisilicide BaSi3
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DOI：
10.3390/ma12010145
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发表时间：
2019-01-01
期刊：
影响因子：
3.4
通讯作者：
Schwarz, Ulrich
中科院分区：
文献类型：
--
作者：
Huebner, Julia-Maria;Akselrud, Lev;Schwarz, Ulrich
BaSi 3是在12（2）和15（2）GPa之间的压力和800（80）和1050（105）K的温度下在淬火前施加1至5小时获得的。新的三硅化物在空间群1（4）中在棒2m（编号121）上结晶，并采用独特的原子排列，这是CaGe 3型的扭曲变体。在常压和570（5）K下，该化合物在放热反应中分解为（hP3）BaSi2和两个无定形富硅相。化学键分析揭示了硅部分结构中的共价键和硅层与钡原子之间的极性多中心相互作用。电阻率和磁化率测量的温度依赖性指示金属行为。
BaSi3 is obtained at pressures between 12(2) and 15(2) GPa and temperatures from 800(80) and 1050(105) K applied for one to five hours before quenching. The new trisilicide crystallizes in the space group 1 (4) over bar 2m (no. 121) and adopts a unique atomic arrangement which is a distorted variant of the CaGe3 type. At ambient pressure and 570(5) K, the compound decomposes in an exothermal reaction into (hP3)BaSi2 and two amorphous silicon-rich phases. Chemical bonding analysis reveals covalent bonding in the silicon partial structure and polar multicenter interactions between the silicon layers and the barium atoms. The temperature dependence of electrical resistivity and magnetic susceptibility measurements indicate metallic behavior.