Quantum dynamics of hydrogen in the iron-based superconductor LaFeAsOD measured with inelastic neutron spectroscopy

Yamaura, Junichi*; Hiraka, Haruhiro*; Iimura, Soshi*; Muraba, Yoshinori*; Bang, J.*; Ikeuchi, Kazuhiko*; Nakamura, Mitsutaka   ; Inamura, Yasuhiro  ; Honda, Takashi*; Hiraishi, Masatoshi*; Kojima, Kenji*; Kadono, Ryosuke*; Kuramoto, Yoshio*; Murakami, Yoichi*; Matsuishi, Satoru*; Hosono, Hideo*

Inelastic neutron scattering was performed for an iron-based superconductor, where most of D (deuterium) replaces oxygen, while a tiny amount goes into interstitial sites. By first-principle calculation, we characterize the interstitial sites for D (and for H slightly mixed) with four equivalent potential minima. Below the superconducting transition temperature Tc = 26 K, new excitations emerge in the range 5-15 meV, while they are absent in the reference system LaFeAsOF. The strong excitations at 14.5 meV and 11.1 meV broaden rapidly around 15 K and 20 K, respectively, where each energy becomes comparable to twice of the superconducting gap. The strong excitations are ascribed to a quantum rattling, or a band motion of hydrogen, which arises only if the number of potential minima is larger than two.