ABSTRACT
In recent years, topological semimetals/metals, including nodal point, nodal line, and nodal surface semimetals/metals, have been studied extensively because of their potential applications in spintronics and quantum computers. In this study, we predict a family of materials, Zr3X (X = Al, Ga, In), hosting the nodal loop and nodal surface states in the absence of spin-orbit coupling. Remarkably, the energy variation of the nodal loop and nodal surface states in Zr3X are very small, and these topological signatures lie very close to the Fermi level. When the effect of spin-orbit coupling is considered, the nodal loop and nodal surface states exhibit small energy gaps (<25 and 35 meV, respectively) that are suitable observables that reflect the spin-orbit coupling response of these topological signatures and can be detected in experiments. Moreover, these compounds are dynamically stable, and they consequently form potential material platforms to study nodal loop and nodal surface semimetals.
ABSTRACT
Realizing rich topological elements in topological materials has attracted increasing attention in the fields of chemistry, physics, and materials science. Topological semimetals/metals are classified into three main types: nodal-point, nodal-line, and nodal-surface types with zero-, one-, and two-dimensional topological elements, respectively. This study reports that XPt (X = Sc, Y, La) intermetallic compounds are topological metals with opened and closed nodal lines, and triply degenerate nodal points (TNPs) when the spin-orbit coupling (SOC) is ignored. Based on the calculated phonon dispersions, one can find that ScPt and YPt are dynamically stable whereas LaPt is not. When SOC is added, the one-dimensional nodal line and zero-dimensional TNPs disappear. Interestingly, a new zero-dimensional topological element, that is, Dirac points with 4-fold degenerate isolated band crossings with linear band dispersion appear. The proposed materials can be considered a good platform to realize zero- and one-dimensional topological elements in a single compound and to study the relationship between zero- and one-dimensional topological elements.
ABSTRACT
Spin-gapless semiconductors (SGSs) with Dirac-like band crossings may exhibit massless fermions and dissipationless transport properties. In this study, by applying the density functional theory, novel multiple linear-type spin-gapless semiconducting band structures were found in a synthesized R 3 - c -type bulk PdF3 compound, which has potential applications in ultra-fast and ultra-low power spintronic devices. The effects of spin-orbit coupling and on-site Coulomb interaction were determined for the bulk material in this study. To explore the potential applications in spintronic devices, we also performed first-principles combined with the non-equilibrium Green's function for the PdF3/Ga2O3/PdF3 magnetic tunnel junction (MTJ). The results suggested that this MTJ exhibits perfect spin filtering and high tunnel magnetoresistance (~5.04 × 107).
ABSTRACT
A suitable annealing temperature was found by adopting the sol-gel method to prepare silicon-based molybdenum sulfide film heterojunction solar cells. As shown by the results, a change in the efficiency of the solar cells, which was attributed to the fact that as the annealing temperature rises, the degree of crystallization of the film increases continuously, the degree of order of the crystal particles goes up first and then goes down, and the temperature change affects the proportion of Mo in different valence states. By comparison, it was found that when the temperature reached 500 °C, the degree of order of the film was raised and the film was in the initial zone from the amorphous to the microcrystal phase change and the proportion of Mo 6+ was relatively large, increasing the conversion efficiency of the device power to 7.55% and laying a good basis for preparing high-performance solar batteries made in the two-dimensional materials. When the annealing temperature continues to rise, the intergranular defects increase, and the overall degree of order of the film decreases. Furthermore, the highly crystalline thin films and the improvement in the device efficiency can be controlled if we obtained the relationship between the annealing temperature and the layers of the two-dimensional materials.
