相关论文: Substrate suppression of oxidation process in pnic…
Unconventional quantum states, most notably the two-dimensional (2D) superconductivity, have been realized at the interfaces of oxide heterostructures where they can be effectively tuned by the gate voltage ($V_G$). Here we report that the…
The interface chemistry of silicon nanocrystals (NCs) embedded in amorphous oxide matrix is studied through molecular dynamics simulations with the chemical environment described by the reactive force field model. Our results indicate that…
Understanding the atomic mechanism of low-temperature CO oxidation on a heterogeneous catalyst is challenging. We performed density functional theory (DFT) calculations to identify the surface structure and reaction mechanism responsible…
We investigate the effects of spin-orbit coupling on the optical response of materials. In particular, we study the effects of the commutator between the spin-orbit coupling part of the potential and the position operator on the optical…
We investigate the dynamics of kicked pseudo-spin-1/2 Bose-Einstein condensates (BECs) with spin-orbit coupling (SOC) in a tightly confined toroidal trap. The system exhibits different dynamical behaviors depending on the competition among…
We performed density-functional theory calculations using the generalized gradient approximation for the exhange-correlation functional to investigate the unusual catalytic behavior of Ru under elevated gas pressure conditions for the…
Rapidly developing science and technology demand new materials with versatile and promising properties for practical applications. In this context, pseudo-octahedral iron(II) spin crossover (SCO) complexes are particularly appealing - not…
Memristors based on a double barrier design have been analysed by various nano spectroscopic methods to unveil details about its microstructure and conduction mechanism. The device consists of an AlOx tunnel barrier and a NbOy/Au Schottky…
We investigate the periodic Anderson model composed of an itinerant $c$-band and a strongly localized $f$-band, featuring on-site electron-electron interactions in the $f$-orbitals. The two bands interact via a hybridization term with…
A Z2 topological insulator protected by time-reversal symmetry is realized via spin-orbit interaction driven band inversion. For example, the topological phase in the Bi-Sb system is due to an odd number of band inversions. A related…
We have studied spin relaxation characteristics in a Ag nanowire covered with various oxide layers of Bi2O3, Al2O3, HfO2, MgO or AgOx by using non-local spin valve structures. The spin-flip probability, a ratio of momentum relaxation time…
Twist-engineering of topological phases in two-dimensional materials offers a powerful route to modulate electronic structure beyond conventional strain or chemical control. In particular, group 15 (pnictogens) monolayers such as bismuthene…
Monolayer PtSe$_2$ is a semiconducting transition metal dichalcogenide characterized by an indirect band gap, space inversion symmetry, and high carrier mobility. Strong intrinsic spin-orbit coupling and the possibility to induce extrinsic…
We consider layered decorated honeycomb lattices at two-thirds filling, as realized in some trinuclear organometallic complexes. Localized $S=1$ moments with a single-spin anisotropy emerge from the interplay of Coulomb repulsion and spin…
The bilayer heterostructures composed of an ultrathin ferromagnetic metal (FM) and a material hosting strong spin-orbit (SO) coupling are principal resource for SO torque and spin-to-charge conversion nonequilibrium effects in spintronics.…
Spin-orbit coupling (SOC) plays an important role in determining the structural and electronic properties of recently proposed two-dimensional planar pentagonal materials. In this work, density functional theory calculations are employed to…
In-depth understanding of the retarded oxidation phenomenon observed during the oxidation of silicon nanostructures is proposed. The wet thermal oxidation of various silicon nanostructures such as nanobeams, concave/convex nanorings and…
We have studied the segregation of P and B impurities during oxidation of the Si(100) surface by means of combined static and dynamical first-principles simulations based on density functional theory. In the bare surface, dopants segregate…
We investigate the spin and orbital correlations of a superexchange model with spin $S=1$ and orbital $L=1$ relevant for $5d^4$ transition metal Mott insulators, using exact diagonalization and density matrix renormalization group (DMRG).…
It is known that the interplay of the spin-orbit-coupling (SOC) and mean-field self-attraction creates stable two-dimensional (2D) solitons (ground states) in spinor Bose-Einstein condensates. However, SOC destroys the system's Galilean…