论文标题
v $ _2 $ opo $ _4 $用硬X射线光发射光谱探测的电荷相关性
Charge correlation in V$_2$OPO$_4$ probed by hard x-ray photoemission spectroscopy
论文作者
论文摘要
通过硬X射线光发射光谱（HAXPES）和随后的理论计算，已经研究了V $ _2 $ opo $ _4 $的电子特性。 V 1 $ S $和2 $ P $ HAXPES SPECTRA与V $^{2+} $和V $^{3+} $的费用订购一致。 V $^{2+} $和V $^{3+} $组件之间的绑定能量差异出乎意料地表明，在核心级别光发射的最终状态下，它们之间的较大键合 - 抗反调分裂。 V 1 $ s $ haxpes Spectrum展示了一个电荷转移卫星，可以通过在V $ _2 $ o $ $ _9 $ cluster上进行配置交互计算来分析。 v 3 $ d $频谱重量在费米级附近分配给V $^{2+} $ site的3 $ d $ t_ {2g} $ orbitals。宽V 3 $ d $频谱分布与v $^{2+} $和v $^{3+} $之间的强杂交一致。核心级别和价值频段HAXPES结果表明从V $^{2+} $站点到V $^{3+} $ SITE.7图
Electronic properties of V$_2$OPO$_4$ have been investigated by means of hard x-ray photoemission spectroscopy (HAXPES) and subsequent theoretical calculations. The V 1$s$ and 2$p$ HAXPES spectra are consistent with the charge ordering of V$^{2+}$ and V$^{3+}$. The binding energy difference between the V$^{2+}$ and V$^{3+}$ components is unexpectedly large indicating large bonding-antibonding splitting between them in the final states of core level photoemission. The V 1$s$ HAXPES spectrum exhibits a charge transfer satellite which can be analyzed by configuration interaction calculations on a V$_2$O$_9$ cluster. The V 3$d$ spectral weight near the Fermi level is assigned to the 3$d$ $t_{2g}$ orbitals of the V$^{2+}$ site. The broad V 3$d$ spectral distribution is consistent with the strong hybridization between V$^{2+}$ and V$^{3+}$ in the ground state. The core level and valence band HAXPES results indicate substantial charge transfer from the V$^{2+}$ site to the V$^{3+}$ site.7 figure
