Related papers: Magnetic structure and exchange interactions in th…
Van der Waals (vdW) layered materials have rather weaker interlayer bonding than the intra-layer bonding, therefore the exfoliation along the stacking direction enables the achievement of monolayer or few layers vdW materials with emerging…
The physical properties of two-dimensional van der Waals (2D vdW) crystals depend sensitively on the interlayer coupling, which is intimately connected to the stacking arrangement and the interlayer spacing. For example, simply changing the…
MnBi2Te4(MBT) is a promising van der Waals layered antiferromagnetic (AF) topological insulator that combines a topologically non-trivial inverted Bi-Te band gap with ferromagnetic (FM) layers of Mn ions. We perform inelastic neutron…
2D magnetic materials have attracted extensive research interest due to their potential application in nanospintronics, optospintronics, and in magnonics. Ferromagnetic as well as antiferromagnetic layered materials have been demonstrated…
Magnetic 2D materials enable novel tuning options of magnetism. As an example, the van der Waals material FePS3, a zigzag-type intralayer antiferromagnet, exhibits very strong magnetoelastic coupling due to the different bond lengths along…
The role of dipolar interactions among Ni nanoparticles (NP) embedded in an amorphous SiO2/C matrix with different concentrations has been studied performing ac magnetic susceptibility Chi_ac measurements. For very diluted samples, with Ni…
The importance of covalent bonding for the magnetism of 3d metal complexes was first noted by Pauling in 1931. His point became moot, however, with the success of the ionic picture of Van Vleck, where ligands influence magnetic electrons of…
Magneto-optical effect has been widely used in light modulation, optical sensing and information storage. Recently discovered two-dimensional (2D) van der Waals layered magnets are considered as promising platforms for investigating novel…
We study dynamical properties of the anisotropic triangular quantum antiferromagnet Cs_2CuCl_4. Inelastic neutron scattering measurements have established that the dynamical spin correlations cannot be understood within a linear spin wave…
The interlayer interaction in graphene/boron-nitride heterostructures is studied using density functional theory calculations with the correction for van der Waals interactions. It is shown that the use of the experimental interlayer…
Two-dimensional (2D) materials have disrupted materials science due to the development of van der Waals technology. It enables the stacking of ultrathin layers of materials characterized by vastly different electronic structures to create…
We use density functional theory to study the structural, magnetic and electronic structure of the organo-metallic quantum magnet $\mathrm{NiCl_2-4SC(NH_2)_2}$ (DTN). Recent work has demonstrated the quasi-1D nature of the molecular crystal…
Excitons are fundamental excitations that govern the optical properties of semiconductors. Interacting excitons can lead to various emergent phases of matter and large nonlinear optical responses. In most semiconductors, excitons interact…
Van der Waals interactions are ubiquitous and they play an important role for the stability of materials. Current understanding of this type of coupling is based on linear response theory, while optical nonlinearities are rarely considered…
Dispersion interactions such as the van der Waals interaction between atoms or molecules derive from quantum fluctuations of the electromagnetic field and can be understood as the exchange of virtual photons between the interacting…
Structural stability and vibrational properties of KN$_3$ have been studied under pressure using the first principles calculations based on the density functional theory (DFT) as well as with semi empirical dispersion correction to the DFT…
Broadening the knowledge and understanding on the magnetic correlations in van der Waals layered magnets is critical in realizing their potential next-generation applications. In this study, we employ high frequency (240 GHz) electron spin…
The magnetic properties in two-dimensional van der Waals materials depend sensitively on structure. CrI3, as an example, has been recently demonstrated to exhibit distinct magnetic properties depending on the layer thickness and stacking…
Bulk MnBi$_2$Te$_4$ (MBT) is an intrinsic antiferromagnetic topological insulator. However, its low N\'eel temperature of $\sim 25\,\mathrm{K}$ severely restricts its practical applications. Here, we propose a van der Waals heterostructure…
We propose a second version of the van der Waals density functional (vdW-DF2) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)], employing a more accurate semilocal exchange functional and the use of a large-N asymptote gradient…