Large spin splitting in the conduction band of transition metal dichalcogenide monolayers

We study the conduction band spin splitting that arises in transition metal dichalcogenide (TMD) semiconductor monolayers such as MoS2, MoSe2, WS2, and WSe2 due to the combination of spin-orbit coupling and lack of inversion symmetry. Two types of calculation are done. First, density functional theory (DFT) calculations based on plane waves that yield large splittings, between 3 and 30 meV. Second, we derive a tight-binding model that permits to address the atomic origin of the splitting. The basis set of the model is provided by the maximally localized Wannier orbitals, obtained from the DFT calculation, and formed by 11 atomiclike orbitals corresponding to d and p orbitals of the transition metal (W, Mo) and chalcogenide (S, Se) atoms respectively. In the resulting Hamiltonian, we can independently change the atomic spin-orbit coupling constant of the two atomic species at the unit cell, which permits to analyze their contribution to the spin splitting at the high symmetry points. We find that—in contrast to the valence band—both atoms give comparable contributions to the conduction band splittings. Given that these materials are most often n-doped, our findings are important for developments in TMD spintronics.

Interplay between sublattice and spin symmetry breaking in graphene

We study the effect of sublattice symmetry breaking on the electronic, magnetic, and transport properties of two-dimensional graphene as well as zigzag terminated one- and zero-dimensional graphene nanostructures. The systems are described with the Hubbard model within the collinear mean field approximation. We prove that for the noninteracting bipartite lattice with an unequal number of atoms in each sublattice, in-gap states still exist in the presence of a staggered on-site potential ±Δ/2. We compute the phase diagram of both 2D and 1D graphene with zigzag edges, at half filling, defined by the normalized interaction strength U/t and Δ/t, where t is the first neighbor hopping. In the case of 2D we find that the system is always insulating, and we find the Uc(Δ) curve above which the system goes antiferromagnetic. In 1D we find that the system undergoes a phase transition from nonmagnetic insulator for U

Soil characteristics in Doon Valley (north west Himalaya, India) by inversion of H/V spectral ratios from ambient noise measurements

Past and recent observations have shown that the local site conditions significantly affect the behavior of seismic waves and its potential to cause destructive earthquakes. Thus, seismic microzonation studies have become crucial for seismic hazard assessment, providing local soil characteristics that can help to evaluate the possible seismic effects. Among the different methods used for estimating the soil characteristics, the ones based on ambient noise measurements, such as the H/V technique, become a cheap, non-invasive and successful way for evaluating the soil properties along a studied area. In this work, ambient noise measurements were taken at 240 sites around the Doon Valley, India, in order to characterize the sediment deposits. First, the H/V analysis has been carried out to estimate the resonant frequencies along the valley. Subsequently, some of this H/V results have been inverted, using the neighborhood algorithm and the available geotechnical information, in order to provide an estimation of the S-wave velocity profiles at the studied sites. Using all these information, we have characterized the sedimentary deposits in different areas of the Doon Valley, providing the resonant frequency, the soil thickness, the mean S-wave velocity of the sediments, and the mean S-wave velocity in the uppermost 30 m.