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Elastic, magnetic and electronic properties of iridium phosphide Ir2P

机译:磷化铱Ir2P的弹性,磁和电子性能

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Cubic (space group: Fmm) iridium phosphide, Ir2P, has been synthesized at high pressure and high temperature. Angle-dispersive synchrotron X-ray diffraction measurements on Ir2P powder using a diamond-anvil cell at room temperature and high pressures (up to 40.6?GPa) yielded a bulk modulus of B0?=?306(6) GPa and its pressure derivative B0'?=?6.4(5). Such a high bulk modulus attributed to the short and strongly covalent Ir-P bonds as revealed by first - principles calculations and three-dimensionally distributed [IrP4] tetrahedron network. Indentation testing on a well-sintered polycrystalline sample yielded the hardness of 11.8(4) GPa. Relatively low shear modulus of ~64?GPa from theoretical calculations suggests a complicated overall bonding in Ir2P with metallic, ionic, and covalent characteristics. In addition, a spin glass behavior is indicated by magnetic susceptibility measurements.
机译:已在高压和高温下合成了立方(空间群:Fmm)磷化铱Ir2P。在室温和高压(最高40.6?GPa)下使用金刚石-砧盒对Ir2P粉末进行角分散同步加速器X射线衍射测量,其体积模量为B0?=?306(6)GPa及其压力导数B0 '?=?6.4(5)。如此高的体积模量归因于第一原理计算和三维分布的[IrP4]四面体网络揭示的短而强共价的Ir-P键。在烧结良好的多晶样品上进行压痕测试得出的硬度为11.8(4)GPa。根据理论计算,相对较低的剪切模量约为64?GPa,表明Ir2P中具有金属,离子和共价特征的复杂整体键合。另外,磁化率测量表明了自旋玻璃的行为。

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