Fukui Hiroshi, Baron Alfred Q R, Ishikawa Daisuke, Uchiyama Hiroshi, Ohishi Yasuo, Tsuchiya Taku, Kobayashi Hisao, Matsuzaki Takuya, Yoshino Takashi, Katsura Tomoo
Center for Novel Material Science under Multi-Extreme Conditions, Graduate School of Material Science, University of Hyogo, 3-2-1 Kouto, Kamigori, Hyogo 678-1297, Japan. Materials Dynamics Laboratory, RIKEN SPring-8 Center, 1-1-1 Kouto, Sayo, Hyogo 679-5148, Japan.
J Phys Condens Matter. 2017 Jun 21;29(24):245401. doi: 10.1088/1361-648X/aa7026. Epub 2017 Apr 28.
We investigated transverse acoustic (TA) phonons in iron-bearing magnesium oxide (ferropericlase) up to 56 GPa using inelastic x-ray scattering (IXS). The results show that the energy of the TA phonon far from the Brillouin zone center suddenly increases with increasing pressure above the spin transition pressure of ferropericlase. Ab initio calculations revealed that the TA phonon energy far from the Brillouin zone center is higher in the low-spin state than in the high spin state; that the TA phonon energy depend weakly on pressure; and that the energy gap between the TA and the lowest-energy-optic phonons is much narrower in the low-spin state than in the high-spin state. This allows us to conclude that the anomalous behavior of the TA mode in the present experiments is the result of gap narrowing due to the spin transition and explains contradictory results in previous experimental studies.
我们使用非弹性X射线散射(IXS)研究了含铁氧化镁(铁方镁石)中高达56吉帕斯卡的横向声学(TA)声子。结果表明,远离布里渊区中心的TA声子能量在高于铁方镁石的自旋转变压力时,会随着压力的增加而突然增加。第一性原理计算表明,远离布里渊区中心的TA声子能量在低自旋态比在高自旋态更高;TA声子能量对压力的依赖较弱;并且TA声子与最低能量光学声子之间的能隙在低自旋态比在高自旋态窄得多。这使我们能够得出结论,本实验中TA模式的异常行为是由于自旋转变导致能隙变窄的结果,并解释了先前实验研究中的矛盾结果。