No Arabic abstract
Perovskite oxides exhibit a rich variety of structural phases hosting different physical phenomena that generate multiple technological applications. We find that topological phonons, i.e., nodal rings, nodal lines, and Weyl points, are ubiquitous in oxide perovskites in terms of structures (tetragonal, orthorhombic, and rhombohedral), compounds (BaTiO3, PbTiO3, and SrTiO3), and external conditions (photoexcitation, strain, and temperature). In particular, in the tetragonal phase of these compounds, all types of topological phonons can simultaneously emerge when stabilized by photoexcitation, whereas the tetragonal phase stabilized by thermal fluctuations only hosts a more limited set of topological phonon states. Additionally, we find that the photoexcited carrier concentration can be used to tune the topological phonon states and induce topological transitions even without associated structural phase changes. Overall, we propose oxide perovskites as a versatile platform in which to study topological phonons and their manipulation with light.
We report results of an investigation of the temperature dependence of the magnon and phonon frequencies in NiO. A combination of Brillouin - Mandelstam and Raman spectroscopies allowed us to elucidate the evolution of the phonon and magnon spectral signatures from the Brillouin zone center (GHz range) to the second-order peaks from the zone boundary (THz range). The temperature-dependent behavior of the magnon and phonon bands in the NiO spectrum indicates the presence of antiferromagnetic (AF) order fluctuation or a persistent AF state at temperatures above the Neel temperature (T=523 K). Tuning the intensity of the excitation laser provides a method for disentangling the features of magnons from acoustic phonons without the application of a magnetic field. Our results are useful for interpretation of the inelastic-light scattering spectrum of NiO, and add to the knowledge of its magnon properties important for THz spintronic devices.
The topological metal states in electronic systems have been extensively studied, but topological phonons were explored only in few examples so far. Here, we expose for the first time that the topological nodal gimbal phonons, type-I and type-II Weyl phonons are simultaneously present in T-carbon, a recently realized new allotrope of carbon. At about 15.2 THz, we find that there exist three mutually intersecting nodal loops (named as nodal gimbal phonons) around {Gamma} point, and two pairs of type-I Weyl phonons on the boundary of Brillouin zone around each X point. In addition, there exist three pairs of type-II Weyl phonons at about 14.5 THz around each L point. It is shown that these exotic topological phonons are protected by corresponding symmetries, and lead to topologically nontrivial surface states. Our findings not only afford plenty of intriguing topological phonon states in a simple material like T-carbon but also provide a new platform to study novel properties of topological phonons, which would facilitate further both experimental and theoretical works in future.
A topological superconductor features at its boundaries and vortices Majorana fermions, which are potentially applicable for topological quantum computations. The scarcity of the known experimentally verified physical systems with topological superconductivity, time-reversal invariant ones in particular, is giving rise to a strong demand for identifying new candidate materials. In this research, we study a heterostructure consisting of a transition metal oxide two-dimensional electron gas (2DEG) sandwiched by insulators near the paraelectric (PE) / ferroelectric (FE) phase transition. Its relevant characteristics is the combination of the transition metal spin-orbit coupling and the soft odd-parity phonons arising from the ferroelectric fluctuation; it gives rise to the fluctuating Rashba effect, which can mediate the pairing interaction for time-reversal invariant topological superconductivity. As the PE / FE phase transition can be driven by applying strain on the heterostructure, this system provides a tunable electron-phonon coupling. Through the first-principle calculations on the (001) [BaOsO3][BaTiO3]4, we find such electron-phonon coupling to be strong over a wide range of applied tensile bi-axial strain in the monolayer BaOsO3 sandwiched between the (001) BaTiO3, hence qualifying it as a good candidate material. Furthermore, the stability of topological superconductivity in this material is enhanced by its orbital physics that gives rise to the anisotropic dispersion.
We present a systematic investigation of the role and importance of excitonic effects on the optical properties of transitions metal oxide perovskites. A representative set of fourteen compounds has been selected, including 3$d$ (SrTiO$_3$, LaScO$_3$, LaTiO$_3$, LaVO$_3$, LaCrO$_3$, LaMnO$_3$, LaFeO$_3$ and SrMnO$_3$), 4$d$ (SrZrO$_3$, SrTcO$_3$ and Ca$_2$RuO$_4$) and 5$d$ (SrHfO$_3$, KTaO$_3$ and NaOsO$_3$) perovskites, covering a band gap ranging from 0.1 eV to 6.1 eV and exhibiting different electronic, structural and magnetic properties. Optical conductivities and optical transitions including electron-hole interactions are calculated through the solution of the Bethe-Salpeter equation (BSE) with quasi-particle energies evaluated by single-shot $G_0W_0$ approximation. The exciton binding energies are computed by means of a model-BSE (mBSE), carefully benchmarked against the full BSE method, in order to obtain well-converged results in terms of k-point sampling. The predicted results are compared with available measured data, with an overall satisfactory agreement between theory and experiment.
Hybrid organolead perovskites (HOP) have started to establish themselves in the field of photovoltaics, mainly due to their great optoelectronic properties and steadily improving solar cell efficiency. Study of the lattice dynamics is key in understanding the electron-phonon interactions at play, responsible for such properties. Here, we investigate, via neutron and Raman spectroscopies, the optical phonon spectrum of four different HOP single crystals: MAPbBr$_3$, FAPbBr$_3$, MAPbI$_3$, and $alpha$-FAPbI$_3$. Low temperature spectra reveal weakly dispersive optical phonons, at energies as low as 2-5~meV, which seem to be the origin of the limit of the charge carriers mobilities in these materials. The temperature dependence of our neutron spectra shows as well a significant anharmonic behaviour, resulting in optical phonon overdamping at temperatures as low as 80~K, questionning the validity of the quasi-particle picture for the low energy optical modes at room temperature where the solar cells operate.