Seung Su Baik

Observation of tunable band gap and anisotropic Dirac semimetal state in black phosphorus

Tuning the band gap of black phosphorus Most materials used in electronics are semiconductors. The sizable energy gap in their electronic structure makes it easy to turn the conduction of electricity on and off. Graphene naturally lacks this band gap unless it undergoes certain modifications. Kim et al. studied the electronic structure of black phosphorus—a related two-dimensional material. By sprinkling potassium atoms on top of single layers of black phosphorus, the material changed from being a semiconductor to having a gapless linear dispersion similar to that of graphene. Science, this issue p. 723 Surface doping with potassium is used to tune black phosphorus from a semiconducting to a graphene-like electronic structure. Black phosphorus consists of stacked layers of phosphorene, a two-dimensional semiconductor with promising device characteristics. We report the realization of a widely tunable band gap in few-layer black phosphorus doped with potassium using an in situ surface doping technique. Through band structure measurements and calculations, we demonstrate that a vertical electric field from dopants modulates the band gap, owing to the giant Stark effect, and tunes the material from a moderate-gap semiconductor to a band-inverted semimetal. At the critical field of this band inversion, the material becomes a Dirac semimetal with anisotropic dispersion, linear in armchair and quadratic in zigzag directions. The tunable band structure of black phosphorus may allow great flexibility in design and optimization of electronic and optoelectronic devices.

Emergence of Two-Dimensional Massless Dirac Fermions, Chiral Pseudospins, and Berry's Phase in Potassium Doped Few-Layer Black Phosphorus.

Thin flakes of black phosphorus (BP) are a two-dimensional (2D) semiconductor whose energy gap is predicted being sensitive to the number of layers and external perturbations. Very recently, it was found that a simple method of potassium (K) doping on the surface of BP closes its band gap completely, producing a Dirac semimetal state with a linear band dispersion in the armchair direction and a quadratic one in the zigzag direction. Here, based on first-principles density functional calculations, we predict that, beyond the critical K density of the gap closure, 2D massless Dirac Fermions (i.e., Dirac cones) emerge in K-doped few-layer BP, with linear band dispersions in all momentum directions, and the electronic states around Dirac points have chiral pseudospins and Berrys phase. These features are robust with respect to the spin-orbit interaction and may lead to graphene-like electronic transport properties with greater flexibility for potential device applications.

Two-Dimensional Dirac Fermions Protected by Space-Time Inversion Symmetry in Black Phosphorus

We report the realization of novel symmetry-protected Dirac fermions in a surface-doped two-dimensional (2D) semiconductor, black phosphorus. The widely tunable band gap of black phosphorus by the surface Stark effect is employed to achieve a surprisingly large band inversion up to ∼0.6  eV. High-resolution angle-resolved photoemission spectra directly reveal the pair creation of Dirac points and their movement along the axis of the glide-mirror symmetry. Unlike graphene, the Dirac point of black phosphorus is stable, as protected by space-time inversion symmetry, even in the presence of spin-orbit coupling. Our results establish black phosphorus in the inverted regime as a simple model system of 2D symmetry-protected (topological) Dirac semimetals, offering an unprecedented opportunity for the discovery of 2D Weyl semimetals.

Electronic structure of C and N co-doped TiO2: A combined hard x-ray photoemission spectroscopy and density functional theory study

We have studied the electronic structure of C and N co-doped TiO2 using hard x-ray photoelectron spectroscopy and first-principles density functional theory calculations. Our results reveal overlap of the 2p states of O, N, and C in the system which shifts the valence band maximum towards the Fermi level. Combined with optical data we show that co-doping is an effective route for band gap reduction in TiO2. Comparison of the measured valence band with theoretical photoemission density of states reveals the possibility of C on Ti and N on O site.