相关论文: Exchange interactions and spin dynamics in the lay…
Recent experiments reveal that the honeycomb ruthenium trichloride {\alpha}-RuCl3 is a prime candidate of the Kitaev quantum spin liquid (QSL). However, there is no theoretical model which can properly describe its experimental dynamical…
We present a general framework for deriving effective spin Hamiltonians of correlated magnetic systems based on a combination of relativistic ab initio density functional theory calculations (DFT), exact diagonalization of a generalized…
A spin Hamiltonian, which characterizes interatomic interactions between spin moments, is highly valuable in predicting and comprehending the magnetic properties of materials. A deeper understanding of the microscopic origin of magnetic…
We report on {\it ab initio} time-dependent spin dynamics simulations for a two-center magnetic molecular complex based on time-dependent non-collinear spin density functional theory. In particular, we discuss how the dynamical behavior of…
Detailed magnetization, specific heat, and $^7$Li nuclear magnetic resonance (NMR) measurements on single crystals of the hyperhoneycomb Kitaev magnet $\beta$-Li$_2$IrO$_3$ are reported. At high temperatures, {\cred anisotropy of the…
Understanding magnetoelectric coupling in emerging van der Waals multiferroics is crucial for developing atomically thin spintronic devices. Here, we present a comprehensive first-principles investigation of magnetoelectric coupling in…
Interfacial Dzyaloshinskii-Moriya interaction (iDMI) in interlayer exchange coupled (IEC) Pt/Co$_{20}$Fe$_{60}$B$_{20}$(1.12 nm)/Ru/Co$_{20}$Fe$_{60}$B$_{20}$(1.12 nm) systems have been studied theoretically and experimentally. Vibrating…
Since thermal fluctuations become more important as dimensions shrink, it is expected that low-dimensional magnets are more sensitive to lattice distortions and phonons than bulk systems are. Here we present a fully relativistic…
Spin-orbit Mott insulators with the $t_{2g}^5$ electron configuration are promising platforms for the Kitaev spin liquid, yet fine-tuning of their crystal structures is essential to suppress non-Kitaev interactions. Here, we investigate the…
Motivated by the magnetic phase transition of a proximate Kitaev system $\alpha$-RuCl$_3$ in the presence of a magnetic field, we study the simplest but essential quantum spin model with the ferromagnetic nearest neighboring (NN) Kitaev…
Exchange interactions up to fourth nearest neighbor are shown within a classical local-moment Heisenberg approach to be important to model inelastic neutron scattering data on the fcc kagome antiferromagnet IrMn$_3$. Spin wave frequencies…
Low-energy magnon excitations in multiferroic BiFeO$_3$ were measured in detail as a function of temperature around several Brillouin zone centers by inelastic neutron scattering experiments on single crystals. Unique features around 1 meV…
The magnetic properties of the two-dimensional, S=1 honeycomb antiferromagnet BaNi$_2$V$_2$O$_8$ have been comprehensively studied using DC susceptibility measurements and inelastic neutron scattering techniques. The magnetic excitation…
Hematite is a canted antiferromagnetic insulator, promising for applications in spintronics. Here, we present ab initio calculations of the tensorial exchange interactions of hematite and use them to understand its magnetic properties by…
Heisenberg interactions are ubiquitous in magnetic materials and have been prevailing in modeling and designing quantum magnets. Bond-directional interactions offer a novel alternative to Heisenberg exchange and provide the building blocks…
Motivated by the recently synthesized insulating nickelate Ni$_2$Mo$_3$O$_8$, which has been reported to have an unusual non-collinear magnetic order of Ni$^{2+}$ $S=1$ moments with a nontrivial angle between adjacent spins, we construct an…
Recent neutron scattering measurements on the spinel CdCr2O4 revealed a rare example of helical magnetic order in geometrically frustrated pyrochlore antiferromagnet. The spin spiral characterized by an incommensurate wavevector Q = 2pi (0,…
Maximizing the ratio between Kitaev and residual Heisenberg interactions is a major goal in nowadays research on Kitaev-Heisenberg quantum magnets. Here we investigate Kitaev-Heisenberg exchange in a recently discovered crystalline phase of…
We propose a method to determine the magnetic exchange interaction and on-site anisotropy tensors of extended Heisenberg spin models from density functional theory including relativistic effects. The method is based on the…
We investigate long-range chiral magnetic interactions among adatoms mediated by surface states spin-splitted by spin-orbit coupling. Using the Rashba model, the tensor of exchange interactions is extracted wherein a pseudo-dipolar…