No Arabic abstract
Based on first-principles calculations, we predict a new two-dimensional ferromagnetic material that exhibits exotic Fermi surface topology. We show that monolayer hexagonal indium carbide ({em h}-InC) is thermodynamically and dynamically stable, and it energetically favors the ferromagnetic ordering of spins. The perfectly planar geometry in two dimensions, together with ferromagnetism, gives rise to a unique opportunity to encounter intriguing electronic properties, captured in the Fermi surface and band topology. We show that multiple nodal lines coexist in momentum space, accompanied by the electron and hole pockets that touch each other linearly at the nodal lines. Inclusion of spin-orbit coupling enriches the magnetic and electronic properties of {em h}-InC. Spin-orbit coupling leads to an easy-plane type magnetocrystalline anisotropy, and the nodal lines can be tuned into topological nodal points, contingent upon the magnetization direction. Symmetry analysis and a tight-binding model are provided to explain the nodal structure of the bands. Our findings suggest {em h}-InC as a new venue for supporting carbon-based magnetism and exotic band topology in two dimensions.
The two-dimensional kagome lattice hosts Dirac fermions at its Brillouin zone corners K and K, analogous to the honeycomb lattice. In the density functional theory electronic structure of ferromagnetic kagome metal Fe$_3$Sn$_2$, without spin-orbit coupling we identify two energetically split helical nodal lines winding along $z$ in the vicinity of K and K resulting from the trigonal stacking of the kagome layers. We find that hopping across A-A stacking introduces a layer splitting in energy while that across A-B stacking controls the momentum space amplitude of the helical nodal lines. The effect of spin-orbit coupling is found to resemble that of a Kane-Mele term, where the nodal lines can either be fully gapped to quasi-two-dimensional massive Dirac fermions, or remain gapless at discrete Weyl points depending on the ferromagnetic moment orientation. Aside from numerically establishing Fe$_3$Sn$_2$ as a model Dirac kagome metal, our results provide insights into materials design of topological phases from the lattice point of view, where paradigmatic low dimensional lattice models often find realizations in crystalline materials with three-dimensional stacking.
The realization of Dirac and Weyl physics in solids has made topological materials one of the main focuses of condensed matter physics. Recently, the topic of topological nodal line semimetals, materials in which Dirac or Weyl-like crossings along special lines in momentum space create either a closed ring or line of degeneracies, rather than discrete points, has become a hot topic in topological quantum matter. Here we review the experimentally confirmed and theoretically predicted topological nodal line semimetals, focusing in particular on the symmetry protection mechanisms of the nodal lines in various materials. Three different mechanisms: a combination of inversion and time-reversal symmetry, mirror reflection symmetry, and non-symmorphic symmetry, and their robustness under the effect of spin orbit coupling are discussed. We also present a new Weyl nodal line material, the Te-square net compound KCu$_2$EuTe$_4$, which has several Weyl nodal lines including one extremely close to the Fermi level ($<$30 meV below E$_F$). Finally, we discuss potential experimental signatures for observing exotic properties of nodal line physics.
Recently, the celebrated Keldysh potential has been widely used to describe the Coulomb interaction of few-body complexes in monolayer transition-metal dichalcogenides. Using this potential to model charged excitons (trions), one finds a strong dependence of the binding energy on whether the monolayer is suspended in air, supported on SiO$_2$, or encapsulated in hexagonal boron-nitride. However, empirical values of the trion binding energies show weak dependence on the monolayer configuration. This deficiency indicates that the description of the Coulomb potential is still lacking in this important class of materials. We address this problem and derive a new potential form, which takes into account the three atomic sheets that compose a monolayer of transition-metal dichalcogenides. The new potential self-consistently supports (i) the non-hydrogenic Rydberg series of neutral excitons, and (ii) the weak dependence of the trion binding energy on the environment. Furthermore, we identify an important trion-lattice coupling due to the phonon cloud in the vicinity of charged complexes. Neutral excitons, on the other hand, have weaker coupling to the lattice due to the confluence of their charge neutrality and small Bohr radius.
Recently fabricated InSe monolayers exhibit remarkable characteristics that indicate the potential of this material to host a number of many-body phenomena. Here, we consistently describe collective electronic effects in hole-doped InSe monolayers using advanced many-body techniques. To this end, we derive a realistic electronic-structure model from first principles that takes into account the most important characteristics of this material, including a flat band with prominent van Hove singularities in the electronic spectrum, strong electron-phonon coupling, and weakly-screened long-ranged Coulomb interactions. We calculate the temperature-dependent phase diagram as a function of band filling and observe that this system is in a regime with coexisting charge density wave and ferromagnetic instabilities that are driven by strong electronic Coulomb correlations. This regime can be achieved at realistic doping levels and high enough temperatures, and can be verified experimentally. We find that the electron-phonon interaction does not play a crucial role in these effects, effectively suppressing the local Coulomb interaction without changing the qualitative physical picture.
Two-dimensional (2D) ferromagnetic materials have been exhibiting promising potential in applications, such as spintronics devices. To grow epitaxial magnetic films on silicon substrate, in the single-layer limit, is practically important but challenging. In this study, we realized the epitaxial growth of MnSn monolayer on Si(111) substrate, with an atomically thin Sn/Si(111)-$2sqrt{3}times2sqrt{3}$- buffer layer, and controlled the MnSn thickness with atomic-layer precision. We discovered the ferromagnetism in MnSn monolayer with the Curie temperature (Tc) of ~54 K. As the MnSn film is grown to 4 monolayers, Tc increases accordingly to ~235 K. The lattice of the epitaxial MnSn monolayer as well as the Sn/Si(111)-$2sqrt{3}times2sqrt{3}$ is perfectly compatible with silicon, and thus an sharp interface is formed between MnSn, Sn and Si. This system provides a new platform for exploring the 2D ferromagnetism, integrating magnetic monolayers into silicon-based technology, and engineering the spintronics heterostructures.