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Using an atomistic model that simultaneously treats the dynamics of translational and spin degrees of freedom, we perform combined molecular and spin dynamics simulations to investigate the mutual influence of the phonons and magnons on…

Materials Science · Physics 2017-01-30 Dilina Perera , Don M. Nicholson , Markus Eisenbach , G. Malcolm Stocks , David P. Landau

The lattice dynamic properties and spin-phonon coupling in DyMn$_2$O$_5$ are studied by using the density-functional theory. The calculated phonon frequencies are in very good agreement with experiments. We then compare the phonon modes…

Materials Science · Physics 2009-11-13 Tianqi Shen , Kun Cao , Guang-Can Guo , Lixin He

A unified model of molecular and atomistic spin dynamics is presented enabling simulations both in microcanonical and canonical ensembles without the necessity of additional phenomenological spin damping. Transfer of energy and angular…

We investigate spin dynamics in antiferromagnetic (AF) molecular rings at finite temperature in the presence of spin-phonon (s-p) interaction. We derive a general expression for the spin susceptibility in the weak s-p coupling limit and…

Mesoscale and Nanoscale Physics · Physics 2009-11-11 Leonardo Spanu , Alberto Parola

We have investigated the coupling of lattice with spin via strain interactions in the CoFe2O4/PMN-PT composite system. X-ray diffraction and Raman spectroscopic studies illustrate a remarkable modification in CoFe2O4lattice across Curie…

Spin-phonon coupling originated from spin-lattice correlation depends upon different exchange interactions in transition metal oxides containing 3d magnetic ions. Spin-lattice coupling can influence the coupling mechanism in magnetoelectric…

Strongly Correlated Electrons · Physics 2021-09-09 P. Pal , Shalini Badola , P. K. Biswas , Ranjana R. Das , Surajit Saha , S. D. Kaushik , P. N. Vishwakarma , A. K. Singh

We report detailed temperature-dependent inelastic neutron scattering and ab-initio lattice dynamics investigation of magnetic perovskites YCrO3 and LaCrO3. The magnetic neutron scattering from the Cr ions exhibits significant changes with…

Using a combination of first-principles and magnetization-dynamics calculations, we study the effect of the intense optical excitation of phonons on the magnetic behavior in insulating magnetic materials. Taking the prototypical…

Strongly Correlated Electrons · Physics 2018-06-13 M. Fechner , A. Sukhov , L. Chotorlishvili , C. Kenel , J. Berakdar , N. A. Spaldin

We present a systematic study of spin and lattice dynamics in the quasi-one-dimensional spiral magnet CuBr2, using Raman scattering in conjunction with infrared and neutron spectroscopy. Along with the development of spin correlations upon…

Spin and lattice dynamics of CaMn7O12 ceramics were investigated using infrared, THz and inelastic neutron scattering (INS) spectroscopies in the temperature range 2 to 590 K, and, at low temperatures, in applied magnetic fields of up to 12…

The low-dimensional s=1/2 compound (NO)[Cu(NO3)3] has recently been suggested to follow the Nersesyan-Tsvelik model of coupled spin chains. Such a system shows unbound spinon excitations and a resonating valence bond ground state due spin…

Strongly Correlated Electrons · Physics 2022-06-08 V. Gnezdilov , P. Lemmens , Yu. G. Pashkevich , D. Wulferding , I. V. Morozov , O. S. Volkova , A. Vasiliev

Electron spin relaxation induced by phonon-mediated s-d exchange interaction in a II-VI diluted magnetic semiconductor quantum dot is investigated theoretically. The electron-acoustic phonon interaction due to piezoelectric coupling and…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 W. Yang , K. Chang

We use variable-temperature x-ray thermal diffuse scattering and inelastic scattering to investigate the lattice dynamics in single crystals of multiferroic CaMn7O12 which undergo a series of orbital and magnetic transitions at low…

Strongly Correlated Electrons · Physics 2016-11-24 S. M. Souliou , Y. Li , X. Du , M. Le Tacon , A. Bosak

We propose a powerful extension to combined molecular and spin dynamics that fully captures the coupling between the atomic and spin subsystems via spin-orbit interactions. Its foundation is the inclusion of the local magnetic anisotropies…

Materials Science · Physics 2016-12-28 Dilina Perera , Markus Eisenbach , Don M. Nicholson , G. Malcolm Stocks , David P. Landau

We use inelastic neutron scattering to study acoustic phonons and spin excitations in single crystals of NaFeAs, a parent compound of iron pnictide superconductors. NaFeAs exhibits a tetragonal-to-orthorhombic structural transition at…

Inelastic neutron scattering was used to systematically investigate the spin-wave excitations (magnons) in ferromagnetic manganese perovskites. In spite of the large differences in the Curie temperatures ($T_C$s) of different manganites,…

Strongly Correlated Electrons · Physics 2009-10-31 Pengcheng Dai , H. Y. Hwang , Jiandi Zhang , J. A. Fernandez-Baca , S-W. Cheong , C. Kloc , Y. Tomioka , Y. Tokura

EuTiO_3, which is a G-type antiferromagnet below T_N = 5.5 K, has some fascinating properties at high temperatures, suggesting that macroscopically hidden dynamically fluctuating weak magnetism exists at high temperatures. This conjecture…

Materials Science · Physics 2014-09-04 Z. Guguchia , H. Keller , R. K. Kremer , J. Kohler , H. Luetkens , T. Goko , A. Amato , A. Bussmann-Holder

The nuclear spin-lattice relaxation rate 1/T_1_ is calculated for magnetic ring clusters by fully diagonalizing their microscopic spin Hamiltonians. Whether the nearest-neighbor exchange interaction J is ferromagnetic or antiferromagnetic,…

Strongly Correlated Electrons · Physics 2009-11-11 Shoji Yamamoto , Toshiya Hikihara

Inelastic neutron scattering measurements on the molecular dimer-Mott insulator $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl reveal a phonon anomaly in a wide temperature range. Starting from $T_{\rm ins}\sim50$-$60$ K where the charge gap…

Lattice dynamics and magnetic excitations are investigated to elucidate the origin of magneto-dielectric effects in the S=1/2 two-dimensional quantum spin compound K$_2$V$_3$O$_8$. We find evidence for lattice instabilities at 110 K and 60…

Strongly Correlated Electrons · Physics 2015-06-04 K. -Y. Choi , P. Lemmens , V. P. Gnezdilov , B. C. Sales , M. D. Lumsden
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