Vinson John, Jach Terrence, Müller Matthias, Unterumsberger Rainer, Beckhoff Burkhard
National Institute of Standards and Technology, 100 Bureau Drive, Gaithersburg, MD 20899.
Physikalisch-Technische Bundesanstalt, Abbestraße 2-12, 10587 Berlin, Germany.
Phys Rev B. 2019;100(8). doi: 10.1103/physrevb.100.085143.
X-ray absorption and resonant inelastic x-ray scattering measurements are carried out on lithium nitrate LiNO. The nitrogen orbitals exhibit a large lifetime effect. Experimentally, this is manifest as an apparent weakening of the x-ray emission signal from these states, but a closer examination shows that instead it is due to extreme broadening. This echos previous studies on ammonium nitrate, which, despite large differences in the cation and space group, showed a similar effect associated with the nitrate. Using first-principles self-energy and Bethe-Salpeter equation calculations we show that this effect is due in part to short quasi-hole lifetimes for the orbitals constituting the NO bonds.
对硝酸锂LiNO₃进行了X射线吸收和共振非弹性X射线散射测量。氮轨道表现出较大的寿命效应。在实验中，这表现为来自这些态的X射线发射信号明显减弱，但仔细研究表明，这实际上是由于极端展宽所致。这与之前对硝酸铵的研究结果相呼应，尽管阳离子和空间群存在很大差异，但硝酸铵也显示出与硝酸盐相关的类似效应。使用第一性原理自能和贝叶斯 - 萨尔皮特方程计算，我们表明这种效应部分归因于构成NO键的轨道的短准空穴寿命。
