Large Anomalous Nernst Effects at Room Temperature in Fe3 Pt Thin Films.

Heat current in ferromagnets can generate a transverse electric voltage perpendicular to magnetization, known as anomalous Nernst effect (ANE). ANE originates intrinsically from the combination of large Berry curvature and density of states near the Fermi energy. It shows technical advantages over the conventional longitudinal Seebeck effect in converting waste heat to electricity due to its unique transverse geometry. However, materials showing giant ANE remain to be explored. Herein,  a large ANE thermopower of Syx ≈ 2 µV K-1 at room temperature in ferromagnetic Fe3 Pt epitaxial films is reported, which also show a giant transverse thermoelectric conductivity of αyx ≈ 4 A K-1  m-1 and a remarkable coercive field of 1300 Oe. The theoretical analysis reveals that the strong spin-orbit interaction in addition to the hybridization between Pt 5d and Fe 3d electrons leads to a series of distinct energy gaps and large Berry curvature in the Brillouin zone, which is the key for the large ANE. These results highlight the important roles of both Berry curvature and spin-orbit coupling in achieving large ANE at zero magnetic field, providing pathways to explore materials with giant transverse thermoelectric effect without an external magnetic field.

Demonstration of the Holonomically Controlled Non-Abelian Geometric Phase in a Three-Qubit System of a Nitrogen Vacancy Center.

The holonomic approach to controlling (nitrogen-vacancy) NV-center qubits provides an elegant way of theoretically devising universal quantum gates that operate on qubits via calculable microwave pulses. There is, however, a lack of simulated results from the theory of holonomic control of quantum registers with more than two qubits describing the transition between the dark states. Considering this, we have been experimenting with the IBM Quantum Experience technology to determine the capabilities of simulating holonomic control of NV-centers for three qubits describing an eight-level system that produces a non-Abelian geometric phase. The tunability of the geometric phase via the detuning frequency is demonstrated through the high fidelity (~85%) of three-qubit off-resonant holonomic gates over the on-resonant ones. The transition between the dark states shows the alignment of the gate's dark state with the qubit's initial state hence decoherence of the multi-qubit system is well-controlled through a π/3 rotation.

Anomalous dielectric response in the triple perovskite ruthenate Ba3BiRu2O9.

We have investigated the magnetic, dielectric and thermal properties of theSRu= 1 magnetic dimer Ba3BiRu2O9, which is known to exhibit a spin-gap opening in conjunction with a first-order magneto-elastic phase transition at ∼175 K. Above the spin-gap temperature, the temperature dependence dielectric constant shows a peak like feature with pronounced frequency dependence. The critical slowing down behavior of this frequency dispersion suggests that a ferroelectric relaxor like electrical glassy state exists above the spin-gap opening temperature regime. The extermination of frequency dispersion-right at the magneto-elastic phase transition, is suggestive of a strong coupling between the lattice and charge-spin degrees of freedom in this triple perovskite system.

Coin Paradox Spin-Orbit Interaction Enhances Magneto-Optical Effect and Its Application in On-Chip Integrated Optical Isolator.

We designed a simple on-chip integrated optical isolator made up of a metal-insulator-metal waveguide and a disc cavity filled with magneto-optical material to enhance the transverse magneto-optical effect through the coin paradox spin-orbit interaction (SOI). The simulation results of the non-reciprocal transmission properties of this optical structure show that a high-performance on-chip integrated optical isolator is obtained. The maximum isolation ratio is greater than 60 dB with a corresponding insertion loss of about 2 dB. The great performance of the optical isolator is attributed to the strong transverse magneto-optical effect, which is enhanced by the coin paradox SOI. Moreover, the enhancement of the transverse magneto-optical effect through the coin paradox SOI is more substantial for smaller azimuthal mode number n. Benefiting from this, the transverse magneto-optical effect remains strong in a wide wavelength range. Additionally, a smaller cavity has a stronger transverse magneto-optical effect in the same wavelength range. Our research provides a new perspective for creating highly integrated magneto-optical devices.

Directional energy transport in strongly coupled chiral quantum emitter plasmonic nanostructures.

Achieving directional exciton energy transport can revolutionize a plethora of applications that depend on exciton energy transfer. In this study, we theoretically analyse a system that comprises a collection of chiral quantum emitters placed in a plasmonic setup made up of a metal nanoparticle trimer. We investigate the system by pumping left and right circularly polarized photons to excite the system. We observe that the generated localized surface plasmon modes are polarization-depended, causing chiral coupling between the quantum emitters and the plasmon optical modes. Based on the plasmon field intensity profiles, we show that directional exciton transport can be obtained when the light-matter interaction becomes adequately strong, leading the system towards the strong coupling regime.

Multistate Switching of Photonic Angular Momentum Coupling in Phase-Change Metadevices.

The coupling between photonic spin and orbital angular momenta is significantly enhanced at the subwavelength scale and has found a plethora of applications in nanophotonics. However, it is still a great challenge to make such kind of coupling tunable with multiple sates. Here, a versatile metasurface platform based on polyatomic phase-change resonators is provided to realize multiple-state switching of photonic angular momentum coupling. As a proof of concept, three coupling modes, namely, symmetric coupling, asymmetric coupling, and no coupling, are experimentally demonstrated at three different crystallization levels of structured Ge2 Sb2 Te5 alloy. In practical applications, coded information can be encrypted in asymmetric mode using the spin degree of freedom, while revealing misleading one without proper phase change or after excessive crystallinity. With these findings, this study may open an exciting direction for subwavelength electromagnetics with unprecedented compactness, allowing to envision applications in active nanophotonics and information security engineering.

Quantum chemical calculations of 31P NMR chemical shifts of P-donor ligands in platinum(II) complexes.

This work aims to find the most suitable method that is practically applicable for the calculation of 31P NMR chemical shifts of Pt(II) complexes. The influence of various all-electron and ECP basis sets, DFT functionals, and solvent effects on the optimized geometry was tested. A variety of combinations of DFT functionals BP86, B3LYP, PBE0, TPSSh, CAM-B3LYP, and ωB97XD with all-electron basis sets 6-31G, 6-31G(d), 6-31G(d,p), 6-311G(d,p), and TZVP and ECP basis sets SDD, LanL2DZ, and CEP-31G were used. Chemical shielding constants were then calculated using BP86, PBE0, and B3LYP functionals in combination with the TZ2P basis. The magnitude of spin-orbit interactions was also evaluated.

Plasmonic Metasurfaces for Switchable Photonic Spin-Orbit Interactions Based on Phase Change Materials.

Metasurfaces with intense spin-orbit interactions (SOIs) offer an appealing platform for manipulation of polarization and wavefront. Reconfigurable beam manipulation based on switchable SOIs is highly desired in many occasions, but it remains a great challenge since most metasurfaces lack the flexibility and the optical performance is fixed once fabricated. Here, switchable SOIs are demonstrated numerically and experimentally via the combination of plasmonic metasurfaces with phase change materials (PCMs). As a proof-of-concept, three metadevices possessing switchable SOIs are fabricated and investigated, which enable spin Hall effect, vortex beam generation, and holography when the PCM is in the amorphous state (corresponding to the "ON" state of SOI). When the PCM changes into the crystalline state (corresponding to the "OFF" state of SOI), these phenomena disappear. Experimental measurements show that a high polarization conversion contrast between "ON" and "OFF" states is obtained within a broadband wavelength range from 8.5 to 10.5 µm. The switchable photonic SOIs proposed here may provide a promising route to design reconfigurable devices for applications such as beam steering, dynamic holographic display, and encrypted optical communications.

Bulk Rashba Semiconductors and Related Quantum Phenomena.

Bithmuth tellurohalides BiTeX (X = Cl, Br and I) are model examples of bulk Rashba semiconductors, exhibiting a giant Rashba-type spin splitting among their both valence and conduction bands. Extensive spectroscopic and transport experiments combined with the state-of-the-art first-principles calculations have revealed many unique quantum phenomena emerging from the bulk Rashba effect in these systems. The novel features such as the exotic inter- and intra-band optical transitions, enhanced magneto-optical response, divergent orbital dia-/para-magnetic susceptibility and helical spin textures with a nontrivial Berry's phase in the momentum space are among the salient discoveries, all arising from this effect. Also, it is theoretically proposed and indications have been experimentally reported that bulk Rashba semiconductors such as BiTeI have the capability of becoming a topological insulator under the application of a hydrostatic pressure. Here, we overview these studies and show that BiTeX are an ideal platform to explore the next aspects of quantum matter, which could ultimately be utilized to create spintronic devices with novel functionalities.

Surface electronic structure calculations using the MBJLDA potential: application to Si(111)2 × 1.

The Si(111)2 × 1 surface has been widely studied via a range of different experimental and theoretical techniques, and found to adopt a π-bonded chain configuration. To determine an accurate electronic structure for this system, however, it has been found necessary to use sophisticated and very computationally expensive methods such as GW or hybrid functionals. In this article, we show that the MBJLDA approach, originally proposed by Tran and Blaha for bulk materials (Tran and Blaha, Phys. Rev. Lett. 2009, 102, 226401), yields results which are comparable to GW, and generally superior to those obtained from hybrid functional density functional theory calculations. The MBJLDA method is also substantially more computationally efficient. A procedure and justification for the application of the MBJLDA approach to surfaces in general is also provided.