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Ultrasound Response in Quantum Critical $beta$-YbAlB$_4$ and $alpha$-YbAl$_{0.986}$Fe$_{0.014}$B$_4$

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 نشر من قبل Shinji Watanabe
 تاريخ النشر 2020
  مجال البحث فيزياء
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 تأليف Shinji Watanabe




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We analyze the key origin of quantum valence criticality in the heavy electron metal $beta$-YbAlB$_4$ evidenced in the sister compound $alpha$-YbAl$_{0.986}$Fe$_{0.014}$B$_4$. By constructing a realistic canonical model for $beta$-YbAlB$_4$, we evaluate Coulomb repulsion between the 4f and 5d electrons at Yb $U_{rm fd}approx 6.2$ eV realizing the quantum critical point (QCP) of the Yb-valence transition. To reveal the Yb 5d contribution to the quantum critical state, we propose ultrasound measurement. We find that softening of elastic constants of not only the bulk modulus but also the shear moduli is caused by electric quadrupole fluctuations enhanced by critical 4f and 5d charge fluctuations for low temperatures at the valence QCP. Possible relevance of these results to $beta$-YbAlB$_4$ and also $alpha$-YbAl$_{1-x}$Fe$_x$B$_4$ is discussed.



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Density functional theory methods are applied to investigate the properties of the new superconductor $beta$-YbAlB$_4$ and its polymorph $alpha$-YbAlB$_4$. We utilize the generalized gradient approximation + Hubbard U (GGA+U) approach with spin-orbit (SO) coupling to approximate the effects of the strong correlations due to the open $4f$ shell of Yb. We examine closely the differences in crystal bonding and symmetry of $beta$-YbAlB$_4$ and $alpha$-YbAlB$_4$. The in-plane bonding structure amongst the dominant itinerant electrons in the boron sheets is shown to differ significantly. Our calculations indicate that, in both polymorphs, the localized 4$f$ electrons hybridize strongly with the conduction sea when compared to the related materials YbRh$_{2}$Si$_{2}$ and YbB$_{2}$. Comparing $beta$-YbAlB$_4$ to the electronic structure of related crystal structures indicates a key role of the 7-member boron coordination of the Yb ion in $beta$-YbAlB$_4$ in producing its enhanced Kondo scale and superconductivity. The Kondo scale is shown to depend strongly on the angle between the B neighbors and the Yb ion, relative to the $x-y$ plane, which relates some of the physical behavior to structural characteristics.
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$beta$-YbAlB$_4$ is the first Yb-based heavy fermion superconductor with $T_{rm c} = 80$ mK. We measured low temperature magnetization of high-purity single crystals down to $T=$ 25 mK. The measurements have revealed a considerable amount of volume f ractions of the superconductivity and the upper critical field $B_{c2}$ curve under field along the c axis, consistent with the previous results. In the normal state, the previously observed divergent behavior in the temperature dependence of the magnetization has been confirmed using higher quality samples and under a low field of 22 mT. In addition, the measurements have revealed a power law behavior, namely, $dM/dTpropto T^{3/2}$, which has a slightly higher exponent than the previous results.
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