Thermoelectric Transport in a Three-Dimensional HgTe Topological Insulator

The thermoelectric response of 80 nm-thick strained HgTe films of a three-dimensional topological insulator (3D TI) has been studied experimentally. An ambipolar thermopower is observed where the Fermi energy moves from conducting to the valence bulk band. The comparison between theory and experiment shows that the thermopower is mostly due to the phonon drag contribution. In the region where the 2D Dirac electrons coexist with bulk hole states, the Seebeck coefficient is modified due to 2D electron–3D hole scattering.

Effect of Dilute Magnetism in a Topological Insulator

Three-dimensional (3D) topological insulator (TI) has emerged as a unique state of quantum matter and generated enormous interests in condensed matter physics. The surfaces of a 3D TI consist of a massless Dirac cone, which is characterized by the Z2 topological invariant. Introduction of magnetism on the surface of a TI is essential to realize the quantum anomalous Hall effect and other novel magneto-electric phenomena. Here, by using a combination of first-principles calculations, magneto-transport and angle-resolved photoemission spectroscopy (ARPES), we study the electronic properties of gadolinium (Gd)-doped Sb2Te3. Our study shows that Gd doped Sb2Te3 is a spin-orbit-induced bulk band-gap material, whose surface is characterized by a single topological surface state. Our results provide a new platform to investigate the interactions between dilute magnetism and topology in magnetic doped topological materials.

New insight on the role of localisation in the electronic structure of the Si(111)(7 × 7) surfaces

New angle-resolved photoelectron spectroscopy (ARPES) data, recorded at several different photon energies from the Si(111)(7 × 7) surface, show that the well-known S1 and S2 surface states that lie in the bulk band gap are localised at specific (adatom and rest atom) sites on the reconstructed surface. The variations in the photoemission intensity from these states as a function of polar and azimuthal emission angle, and incident photon energy, are not consistent with Fermi surface mapping but are well-described by calculations of the multiple elastic scattering in the final state. This localisation of the most shallowly bound S1 state is consistent with the lack of significant dispersion, with no evidence of Fermi surface crossing, implying that the surface is not, as has been previously proposed, metallic in character. Our findings highlight the importance of final state scattering in interpreting ARPES data, an aspect that is routinely ignored and can lead to misleading conclusions.

Comparative Hybrid Hartree-Fock-DFT Calculations of WO2-Terminated Cubic WO3 as Well as SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001) Surfaces

We performed, to the best of our knowledge, the world’s first first-principles calculations for the WO2-terminated cubic WO3 (001) surface and analyzed the systematic trends in the WO3, SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001) surface ab initio calculations. According to our first principles calculations, all WO2 or TiO2-terminated WO3, SrTiO3, BaTiO3, PbTiO3 and CaZrO3 (001) surface upper-layer atoms relax inwards towards the crystal bulk, while all second-layer atoms relax upwards. The only two exceptions are outward relaxations of first layer WO2 and TiO2-terminated WO3 and PbTiO3 (001) surface O atoms. The WO2 or TiO2-terminated WO3, SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001) surface-band gaps at the Γ–Γ point are smaller than their respective bulk-band gaps. The Ti–O chemical bond populations in the SrTiO3, BaTiO3, PbTiO3 and CaTiO3 bulk are smaller than those near the TiO2-terminated (001) surfaces. Conversely, the W–O chemical bond population in the WO3 bulk is larger than near the WO2-terminated WO3 (001) surface.

Realization of an ideal Weyl semimetal band in a quantum gas with 3D spin-orbit coupling

Weyl semimetals are three-dimensional (3D) gapless topological phases with Weyl cones in the bulk band. According to lattice theory, Weyl cones must come in pairs, with the minimum number of cones being two. A semimetal with only two Weyl cones is an ideal Weyl semimetal (IWSM). Here we report the experimental realization of an IWSM band by engineering 3D spin-orbit coupling for ultracold atoms. The topological Weyl points are clearly measured via the virtual slicing imaging technique in equilibrium and are further resolved in the quench dynamics. The realization of an IWSM band opens an avenue to investigate various exotic phenomena that are difficult to access in solids.

Discovery of $${\hat{\boldsymbol{C}}}_2$$ rotation anomaly in topological crystalline insulator SrPb

Topological crystalline insulators (TCIs) are insulating electronic states with nontrivial topology protected by crystalline symmetries. Recently, theory has proposed new classes of TCIs protected by rotation symmetries $$\hat C_n$$ C ̂ n , which have surface rotation anomaly evading the fermion doubling theorem, i.e., n instead of 2n Dirac cones on the surface preserving the rotation symmetry. Here, we report the first realization of the $$\hat C_2$$ C ̂ 2 rotation anomaly in a binary compound SrPb. Our first-principles calculations reveal two massless Dirac fermions protected by the combination of time-reversal symmetry $$\hat T$$ T ̂ and $$\hat C_{2y}$$ C ̂ 2 y on the (010) surface. Using angle-resolved photoemission spectroscopy, we identify two Dirac surface states inside the bulk band gap of SrPb, confirming the $$\hat C_2$$ C ̂ 2 rotation anomaly in the new classes of TCIs. The findings enrich the classification of topological phases, which pave the way for exploring exotic behavior of the new classes of TCIs.

Spin-polarized two-dimensional electron/hole gases on LiCoO$_2$ layers.

First-principles calculations show the formation of a 2D spin polarized electron (hole) gas on the Li (CoO_22) terminated surfaces of finite slabs down to a monolayer, in remarkable contrast with the bulk band structure, which is stabilized by Li donating its electron to the CoO_22 layer forming a Co-d-t_{2g}^6d−t2g6 insulator. By mapping the first-principles computational results to a minimal tight-binding models corresponding to a non-chiral 3D generalization of the quadripartite Su-Schrieffer-Heeger (SSH4) model and symmetry analysis, we show that these surface states have topological origin.

Bulk band structure of Sb2Te3 determined by angle-resolved photoemission spectroscopy

The bulk band structure of the topological insulator Sb$_2$Te$_3$~ is investigated by angle-resolved photoemission spectroscopy. Of particular interest is the dispersion of the uppermost valence band with respect to the...

Achieving large uniform tensile elasticity in microfabricated diamond

Diamond is not only the hardest material in nature, but is also an extreme electronic material with an ultrawide bandgap, exceptional carrier mobilities, and thermal conductivity. Straining diamond can push such extreme figures of merit for device applications. We microfabricated single-crystalline diamond bridge structures with ~1 micrometer length by ~100 nanometer width and achieved sample-wide uniform elastic strains under uniaxial tensile loading along the [100], [101], and [111] directions at room temperature. We also demonstrated deep elastic straining of diamond microbridge arrays. The ultralarge, highly controllable elastic strains can fundamentally change the bulk band structures of diamond, including a substantial calculated bandgap reduction as much as ~2 electron volts. Our demonstration highlights the immense application potential of deep elastic strain engineering for photonics, electronics, and quantum information technologies.