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Spitz, L.*; Razpopov, A.*; Biswas, S.*; Lane, H.*; Nikitin, S. E.*; 飯田 一樹*; 梶本 亮一; 藤田 全基*; 新井 正敏*; Mourigal, M.*; et al.
Physical Review B, 112(18), p.184302_1 - 184302_18, 2025/11
CuGeO
has long been studied as a prototypical example of the spin-Peierls transition in a
Heisenberg chain. Despite intensive investigation of this quasi-one-dimensional material, systematic measurements and calculations of the phonon excitations in the dimerized phase have not to date been possible, leaving certain aspects of the spin-Peierls phenomenon unresolved. We perform state-of-the-art density functional theory (DFT) calculations to compute the electronic structure and phonon dynamics in the low-temperature dimerized phase. We also perform high-resolution neutron spectroscopy to measure the full phonon spectrum over multiple Brillouin zones. We find excellent agreement between our numerical and experimental results that extend to all measurement temperatures. Notable features of our phonon spectra include a number of steeply dispersive modes, nonmonotonic dispersion features, and specific phonon anticrossings, which we relate to the mode eigenvectors. By calculating the magnetic interactions within DFT and studying the effects of different phonon modes on the superexchange paths, we discuss the possibility of observing spinphonon hybridization effects in experiments performed both in and out of equilibrium.
O
Prokhnenko, O.*; Nikitin, S. E.*; 金子 耕士; 田端 千紘; 廣瀬 雄介; 常盤 欣文; 芳賀 芳範; 藤田 全基; 野尻 浩之*; Anovitz, L. M.*; et al.
Physical Review B, 112(9), p.094402_1 - 094402_7, 2025/09
被引用回数:0 パーセンタイル:0.00The spin dynamics in the natural mineral aegirine, NaFeSi
O
, a member of the pyroxene family, was studied using elastic and inelastic neutron scattering. Magnetization and specific heat measurements as well as single-crystal neutron diffraction maps confirm two successive magnetic transitions at 8.8 and 5.8~K, consistent with previous studies. The observed spin-wave excitations emerge from the incommensurate magnetic Bragg peaks corresponding to the propagation vector
, and extend up to energies of about 1.5 meV. In the low-temperature helical phase, the spin dynamics of the Fe
ions is well described by a simple linear spin-wave model. The observed excitations can be modeled using a spin Hamiltonian that includes three primary exchange interactions. Our results show that no single exchange interaction dominates the spin dynamics. The similar strengths of the intrachain and interchain couplings point to the fact that the magnetic interactions in aegirine are three-dimensional, rather than being confined along one direction. As a result, the system cannot be considered quasi-one-dimensional, as previously suggested, and calls for further investigations.

Holm-Janas, S.*; 赤木 暢*; Fogh, E.*; 木原 工*; Le, M. D.*; Forino, P. C.*; Nikitin, S. E.*; Fennell, T.*; Painganoor, A.*; Vaknin, D.*; et al.
Physical Review B, 109(17), p.174413_1 - 174413_11, 2024/05
被引用回数:5 パーセンタイル:69.82(Materials Science, Multidisciplinary)We investigate the magnetic structure and magnetoelectric (ME) effect in the high-field phase of the antiferromagnet LiFePO
above the critical field of 31 T. A neutron diffraction study in pulsed magnetic fields reveals the propagation vector to be q = 0 for the high-field magnetic structure. In addition, neutron diffraction measurements in low magnetic fields show no observable field-induced spin canting, which indicates negligible Dzyaloshinskii-Moriya interaction. The observed spin-flop field supports the Hamiltonian recently deduced from inelastic neutron studies and indicates that the system is less frustrated and with a larger single-ion anisotropy than originally thought. Our results demonstrate the effectiveness of combining pulsed-field neutron diffraction and electric polarization measurements to elucidate the magnetic structures and symmetries at the highest attainable field strengths.