Coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides

We show that inversion symmetry breaking together with spin-orbit coupling leads to coupled spin and valley physics in monolayers of MoS2 and other group-VI dichalcogenides, making possible controls of spin and valley in these 2D materials. The spin-valley coupling at the valence band edges suppresses spin and valley relaxation, as flip of each index alone is forbidden by the valley contrasting spin splitting. Valley Hall and spin Hall effects coexist in both electron-doped and hole-doped systems. Optical interband transitions have frequency-dependent polarization selection rules which allow selective photoexcitation of carriers with various combination of valley and spin indices. Photo-induced spin Hall and valley Hall effects can generate long lived spin and valley accumulations on sample boundaries. The physics discussed here provides a route towards the integration of valleytronics and spintronics in multi-valley materials with strong spin-orbit coupling and inversion symmetry breaking.Comment: published versio

Large magneto-optical Kerr effect in noncollinear antiferromagnets Mn3X_{3}X (XX = Rh, Ir, or Pt)

Magneto-optical Kerr effect, normally found in magnetic materials with nonzero magnetization such as ferromagnets and ferrimagnets, has been known for more than a century. Here, using first-principles density functional theory, we demonstrate large magneto-optical Kerr effect in high temperature noncollinear antiferromagnets Mn$_{3}X$ ($X$ = Rh, Ir, or Pt), in contrast to usual wisdom. The calculated Kerr rotation angles are large, being comparable to that of transition metal magnets such as bcc Fe. The large Kerr rotation angles and ellipticities are found to originate from the lifting of the band double-degeneracy due to the absence of spatial symmetry in the Mn$_{3}X$ noncollinear antiferromagnets which together with the time-reversal symmetry would preserve the Kramers theorem. Our results indicate that Mn$_{3}X$ would provide a rare material platform for exploration of subtle magneto-optical phenomena in noncollinear magnetic materials without net magnetization

Half-Heusler Topological Insulators: A First-Principle Study with the Tran-Blaha Modified Becke-Johnson Density Functional

We systematically investigate the topological band structures of half-Heusler compounds using first-principles calculations. The modified Becke-Johnson exchange potential together with local density approximation for the correlation potential (MBJLDA) has been used here to obtain accurate band inversion strength and band order. Our results show that a large number of half-Heusler compounds are candidates for three-dimensional topological insulators. The difference between band structures obtained using the local density approximation (LDA) and MBJLDA potential is also discussed.Comment: 5 figures, 1 tabl

Topological magneto-optical effects and their quantization in noncoplanar antiferromagnets

Reflecting the fundamental interactions of polarized light with magnetic matter, magneto-optical effects are well known since more than a century. The emergence of these phenomena is commonly attributed to the interplay between exchange splitting and spin-orbit coupling in the electronic structure of magnets. Using theoretical arguments, we demonstrate that topological magneto-optical effects can arise in noncoplanar antiferromagnets due to the finite scalar spin chirality, without any reference to exchange splitting or spin-orbit coupling. We propose spectral integrals of certain magneto-optical quantities that uncover the unique topological nature of the discovered effect. We also find that the Kerr and Faraday rotation angles can be quantized in insulating topological antiferromagnets in the low-frequency limit, owing to nontrivial global properties that manifest in quantum topological magneto-optical effects. Although the predicted topological and quantum topological magneto-optical effects are fundamentally distinct from conventional light-matter interactions, they can be measured by readily available experimental techniques.Comment: 10 pages, 5 figure

Magnetic and Electronic Properties of Metal-Atom Adsorbed Graphene

We systematically investigate the magnetic and electronic properties of graphene adsorbed with diluted 3d-transition and noble metal atoms using first principles calculation methods. We find that most transition metal atoms (i.e. Sc, Ti, V, Mn, Fe) favor the hollow adsorption site, and the interaction between magnetic adatoms and \pi-orbital of graphene induces sizable exchange field and Rashba spin-orbit coupling, which together open a nontrivial bulk gap near the Dirac points leading to the quantum-anomalous Hall effect. We also find that the noble metal atoms (i.e. Cu, Ag, Au) prefer the top adsorption site, and the dominant inequality of the AB sublattice potential opens another kind of nontrivial bulk gap exhibiting the quantum-valley Hall effect.Comment: Submitted to PRL on Aug. 10, 2011. 11 pages(4.5 pages for the main text and 6.5 pages for the supporting materials