Microdynamic Study of Spin-Lattice Coupling Effects on Skyrmion Transport.

Skyrmion transport fundamentally determines the speed, energy consumption, and functionality of skyrmion-based spintronic devices, attracting considerable attention. Recent experimental studies found there is a migration barrier for the thermal activated transport of a skyrmion, which is speculated to be induced by the pinning effects of crystalline defects. In this Letter, we propose an alternative source of migration barrier for skyrmion transport, i.e., a local lattice distortion field due to spin-lattice coupling, which can lead to the same Arrhenius diffusion behavior in defect-free skyrmion materials. By performing spin-lattice dynamics simulations, we study the microdynamic insight into the influence of local lattice distortion field, which refreshes the mechanistic understanding on skyrmion transport.

Ferromagnetic effects on helium-vacancy complex formation in BCC Fe.

The substitution of helium atom inside BCC Fe results in (1) lattice distortion, (2) the resonance phonon modes, and (3) the scattering center, enhancing the anharmonicity of phonon and magnon. The ferromagnetic effects are analyzed by comparing results in the ferromagnetic and non-magnetic systems using spin-lattice dynamics simulations based on quantum fluctuation dissipation relation. The ferromagnetic effects are subtracted into static and dynamic contributions, where the former is found to be dominant. Neglecting ferromagnetic effects would bring with unexpected large error in the description of kinetics of helium in metals.

Quantum statistical effects in the mass transport of interstitial solutes in a crystalline solid.

The impact of quantum statistics on the many-body dynamics of a crystalline solid at finite temperatures containing an interstitial solute atom (ISA) is investigated. The Mori-Zwanzig theory allows the many-body dynamics of the crystal to be formulated and solved analytically within a pseudo-one-particle approach using the Langevin equation with a quantum fluctuation-dissipation relation (FDR) based on the Debye model. At the same time, the many-body dynamics is also directly solved numerically via the molecular dynamics approach with a Langevin heat bath based on the quantum FDR. Both the analytical and numerical results consistently show that below the Debye temperature of the host lattice, quantum statistics significantly impacts the ISA transport properties, resulting in major departures from both the Arrhenius law of diffusion and the Einstein-Smoluchowski relation between the mobility and diffusivity. Indeed, we found that below one-third of the Debye temperature, effects of vibrations on the quantum mobility and diffusivity are both orders-of-magnitude larger and practically temperature independent. We have shown that both effects have their physical origin in the athermal lattice vibrations derived from the phonon ground state. The foregoing theory is tested in quantum molecular dynamics calculation of mobility and diffusivity of interstitial helium in bcc W. In this case, the Arrhenius law is only valid in a narrow range between ∼300 and ∼700 K. The diffusivity becomes temperature independent on the low-temperature side while increasing linearly with temperature on the high-temperature side.

Quantum statistics and anharmonicity in the thermodynamics of spin waves in ferromagnetic metals.

The average energy needed to create a magnon is high in ferromagnetic metals due to the high-strength spin stiffness, which results in strong quantization effects that could be important even at thousands of degrees. To take into account quantum statistics at such high temperatures, the associated effects of anharmonicity of the spin vibrations must be taken into account. In addition to the complex nature of such effects, anharmonicity also affects the occupation of the density of state of the vibration states in the context of quantum statistics. Thus, an unoccupied vibration state might become occupied when its spring stiffness is substantially reduced with anharmonicity. Combined effects of quantum statistics and anharmonicity are expected. In this regard, the thermodynamics of ferromagnetic metals are investigated in this paper through the example of bcc iron between 10 and 1400 K. Theoretical analysis and spin-lattice dynamic simulations are performed, through which the physics behind the complex and dramatic temperature dependence of the thermodynamic functions of bcc iron is understood.