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Two stage pressure-induced Yb valence change in the Hexagonal Laves Phase YbAg$_2$: Investigation by time differential perturbed angular $\gamma$-$\gamma$ correlation spectroscopy method and density functional calculations

机译：六角形Laves中两级压力诱导的Yb价态变化相位Ybag $ _2 $：通过时间微分扰动角度进行调查 $ \ gamma $ - $ \ gamma $相关光谱法和密度泛函计算

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We have studied the C14 hexagonal Laves phase of YbAg$_2$ at normalconditions and under external pressure up to 19 GPa by the time-differentialperturbed angular $\gamma-\gamma$ correlation spectroscopy (TDPAC) using$^{111}$Cd probe nuclei. Under pressure the valence of Yb undergoes a two stagetransition from 2.8 to 3. The two stage scenario is characterized by twodistinct quadrupole frequencies of $^{111}$Cd probes in silver sublattice,monotonically increasing with pressure and saturating at 8 and 16 GPa. Ourexperimental data are compared with the density functional studies of theelectron band structure of YbAg$_2$, whose results are used for discussion andinterpretation of these experiments. We have found that there are two differentelectric field gradients at inequivalent silver sites and that $4d$-states ofsilver participate in metal bonding, allowing for the formation of thehexagonal Laves phase.

机译：我们使用$ ^ {111} $ Cd探针通过时差摄动角$ \γ-\γ$相关光谱法（TDPAC）研究了在正常条件下和外部压力高达19 GPa的情况下，YbAg $ _2 $的C14六角形Laves相。核。在压力下，Yb的价数经历了从2.8到3的两级跃迁。该两级情景的特征是，亚亚银格中两个截然不同的四极频率$ ^ {111} $ Cd探针，随压力单调增加，并在8和16 GPa时达到饱和。我们的实验数据与YbAg $ _2 $电子带结构的密度泛函研究进行了比较，其结果被用于讨论和解释这些实验。我们发现在不等价的银位点有两个不同的电场梯度，并且$ 4d $-态的银参与金属键合，从而形成了六边形的拉维斯相。

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Tsvyashchenko, A. V.; Nikolaev, A. N.; Salamatin, D. A.; Velichkov, A.; Salamatin, A. V.; Novikov, A. P.; Fomicheva, L. N.; El'kin, F. S.; Bibikov, A. V.; Kozin, M. G.; Budzynski, M.;
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1. Two-stage pressure-induced Yb valence change in the hexagonal Laves phase YbAg_2: Investigation by time differential perturbed angular y — y correlation spectroscopy method and density functional calculations [J] . A. V. Tsvyashchenko, A. V. Nikolaev, D. A. Salamatin, Physical review. B, Condensed Matter And Materals Physics . 2017,第24期

机译：六边形拉夫斯相YbAg_2中两阶段压力引起的Yb价变化：通过时差扰动角y-y相关光谱法和密度泛函计算进行研究
2. Two-stage pressure-induced Yb valence change in the hexagonal Laves phase YbAg_2: Investigation by time differential perturbed angular γ − γ correlation spectroscopy method and density functional calculations [J] . A. V. Tsvyashchenko, A. V. Nikolaev, D. A. Salamatin, Physical Review. B, Condensed Matter . 2017,第23a24CD期

机译：六角形疏浚阶段YBAG_2中的两级压力诱导的Yb效果变化：按时间差异扰动角度γ-γ相关谱法和密度函数计算的研究
3. ~(111)Cd time-differential perturbed angular correlation study of pressure-induced valence changes in YbAl_2 [J] . A. V. Tsvyashchenko, L. N. Foraicheva, M. Wiertel, Physical review . 2007,第4期

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Two stage pressure-induced Yb valence change in the Hexagonal Laves Phase YbAg$_2$: Investigation by time differential perturbed angular $\gamma$-$\gamma$ correlation spectroscopy method and density functional calculations

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