Topological quantum devices: a review.

The introduction of the concept of topology into condensed matter physics has greatly deepened our fundamental understanding of transport properties of electrons as well as all other forms of quasi particles in solid materials. It has also fostered a paradigm shift from conventional electronic/optoelectronic devices to novel quantum devices based on topology-enabled quantum device functionalities that transfer energy and information with unprecedented precision, robustness, and efficiency. In this article, the recent research progress in topological quantum devices is reviewed. We first outline the topological spintronic devices underlined by the spin-momentum locking property of topology. We then highlight the topological electronic devices based on quantized electron and dissipationless spin conductivity protected by topology. Finally, we discuss quantum optoelectronic devices with topology-redefined photoexcitation and emission. The field of topological quantum devices is only in its infancy, we envision many significant advances in the near future.

Excitonic Condensate in Flat Valence and Conduction Bands of Opposite Chirality.

Excitonic Bose-Einstein condensation (EBEC) has drawn increasing attention recently with the emergence of 2D materials. A general criterion for EBEC, as expected in an excitonic insulator (EI) state, is to have negative exciton formation energies in a semiconductor. Here, using exact diagonalization of a multiexciton Hamiltonian modeled in a diatomic kagome lattice, we demonstrate that the negative exciton formation energies are only a prerequisite but insufficient condition for realizing an EI. By a comparative study between the cases of both conduction and valence flat bands (FBs) versus that of a parabolic conduction band, we further show that the presence and increased FB contribution to exciton formation provide an attractive avenue to stabilize the excitonic condensate, as confirmed by calculations and analyses of multiexciton energies, wave functions, and reduced density matrices. Our results warrant a similar many-exciton analysis for other known and/or new candidates of EIs and demonstrate the FBs of opposite parity as a unique platform for studying exciton physics, paving the way to material realization of spinor BEC and spin superfluidity.

Excited quantum anomalous and spin Hall effect: dissociation of flat-bands-enabled excitonic insulator state.

Quantum anomalous Hall effect (QAHE) and quantum spin Hall effect (QSHE) are two interesting physical manifestations of 2D materials that have an intrinsic nontrivial band topology. In principle, they are ground-state equilibrium properties characterized by Fermi level lying in a topological gap, below which all the occupied bands are summed to a non-zero topological invariant. Here, we propose theoretical concepts and models of 'excited' QAHE (EQAHE) and EQSHE generated by dissociation of an excitonic insulator (EI) state with complete population inversion (CPI), a uniquemany-bodyground state enabled by two yin-yang flat bands (FBs) of opposite chirality hosted in a diatomic Kagome lattice. The two FBs have a trivial gap in between, i.e. the system is a trivial insulator in thesingle-particleground-state, but nontrivial gaps above and below, so that upon photoexcitation the quasi-Fermi levels of both electrons and holes will lie in a nontrivial gap achieved by the CPI-EI state, as demonstrated by exact diagonalization calculations. Then dissociation of singlet and triplet EI state will lead to EQAHE and EQSHE, respectively. Realizations of yin-yang FBs in real materials are also discussed.

Flat-Band-Enabled Triplet Excitonic Insulator in a Diatomic Kagome Lattice.

The excitonic insulator (EI) state is a strongly correlated many-body ground state, arising from an instability in the band structure toward exciton formation. We show that the flat valence and conduction bands of a semiconducting diatomic Kagome lattice, as exemplified in a superatomic graphene lattice, can possibly conspire to enable an interesting triplet EI state, based on density-functional theory calculations combined with many-body GW and Bethe-Salpeter equation. Our results indicate that massive carriers in flat bands with highly localized electron and hole wave functions significantly reduce the screening and enhance the exchange interaction, leading to an unusually large triplet exciton binding energy (∼1.1 eV) exceeding the GW band gap by ∼0.2 eV and a large singlet-triplet splitting of ∼0.4 eV. Our findings enrich once again the intriguing physics of flat bands and extend the scope of EI materials.

π-Orbital Yin-Yang Kagome bands in anilato-based metal-organic frameworks.

π-Orbital bonding plays an important role not only in traditional molecular science and solid-state chemistry but also in modern quantum physics and materials, such as the relativistic Dirac states formed by bonding and antibonding π-bands in graphene. Here, we disclose an interesting manifestation of π-orbitals in forming the Yin-Yang Kagome bands, which host potentially a range of exotic quantum phenomena. Based on first-principles calculations and tight-binding orbital analyses, we show that the frontier π2- and π3-orbitals in anilato-based metal-organic frameworks form concurrently a conduction and valence set of Kagome bands, respectively, but with opposite signs of lattice hopping to constitute a pair of enantiomorphic Yin and Yang Kagome bands, as recently proposed in a diatomic Kagome lattice. The twisted configuration of neighboring benzene-derived organic ligands bridged by an octahedrally O-coordinated metal ion is found to play a critical role in creating the opposite sign of lattice hopping for the π2- versus π3-orbitals. Our finding affords a new material platform to study π-orbital originated quantum chemistry and physics.

Orbital design of topological insulators from two-dimensional semiconductors.

Two-dimensional (2D) materials have attracted much attention because they exhibit various intrinsic properties, which are, however, usually not interchangeable. Here we propose a generic approach to convert 2D semiconductors to 2D topological insulators (TIs) via atomic adsorption. The approach is underlined by an orbital design principle that involves introducing an extrinsic s-orbital state of the adsorbate into the intrinsic sp-bands of a 2D semiconductor, so as to induce s-p band inversion for a TI phase, as demonstrated by tight-binding model analyses. Based on first-principles calculations, we successfully apply this approach to convert CuS, CuSe and CuTe into TIs by adsorbing one adatom per unit cell of Na, Na0.5K0.5 and K as well as Rb and Cs. Moreover, if the chalcogens in the 2D semiconductor have a decreasing ability of accepting electrons, the adsorbates should have an increasing ability of donating electrons. Our findings open a new door to discovering TIs by predictive material design beyond finding preexisting TIs.