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1. Tuning interactions between spins in a superconductor

   https://doi.org/10.1073/pnas.2024837118  

   Ding, Hao ; Hu, Yuwen ; Randeria, Mallika T. ; Hoffman, Silas ; Deb, Oindrila ; Klinovaja, Jelena ; Loss, Daniel ; Yazdani, Ali ( March 2021 , Proceedings of the National Academy of Sciences)

   Novel many-body and topological electronic phases can be created in assemblies of interacting spins coupled to a superconductor, such as one-dimensional topological superconductors with Majorana zero modes (MZMs) at their ends. Understanding and controlling interactions between spins and the emergent band structure of the in-gap Yu–Shiba–Rusinov (YSR) states they induce in a superconductor are fundamental for engineering such phases. Here, by precisely positioning magnetic adatoms with a scanning tunneling microscope (STM), we demonstrate both the tunability of exchange interaction between spins and precise control of the hybridization of YSR states they induce on the surface of a bismuth (Bi) thin film that is made superconducting with the proximity effect. In this platform, depending on the separation of spins, the interplay among Ruderman–Kittel–Kasuya–Yosida (RKKY) interaction, spin–orbit coupling, and surface magnetic anisotropy stabilizes different types of spin alignments. Using high-resolution STM spectroscopy at millikelvin temperatures, we probe these spin alignments through monitoring the spin-induced YSR states and their energy splitting. Such measurements also reveal a quantum phase transition between the ground states with different electron number parity for a pair of spins in a superconductor tuned by their separation. Experiments on larger assemblies show that spin–spin interactions can be mediated in a superconductor over long distances. Our results show that controlling hybridization of the YSR states in this platform provides the possibility of engineering the band structure of such states for creating topological phases.

    

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2. Spin–orbit couplings within spin-conserving and spin-flipping time-dependent density functional theory: Implementation and benchmark calculations

   https://doi.org/10.1063/5.0130868  

   Kotaru, Saikiran ; Pokhilko, Pavel ; Krylov, Anna I. ( December 2022 , The Journal of Chemical Physics)

   We present a new implementation for computing spin–orbit couplings (SOCs) within a time-dependent density-functional theory (TD-DFT) framework in the standard spin-conserving formulation as well in the spin–flip variant (SF-TD-DFT). This approach employs the Breit–Pauli Hamiltonian and Wigner–Eckart’s theorem applied to the reduced one-particle transition density matrices, together with the spin–orbit mean-field treatment of the two-electron contributions. We use a state-interaction procedure and compute the SOC matrix elements using zero-order non-relativistic states. Benchmark calculations using several closed-shell organic molecules, diradicals, and a single-molecule magnet illustrate the efficiency of the SOC protocol. The results for organic molecules (described by standard TD-DFT) show that SOCs are insensitive to the choice of the functional or basis sets, as long as the states of the same characters are compared. In contrast, the SF-TD-DFT results for small diradicals (CH 2 , [Formula: see text], SiH 2 , and [Formula: see text]) show strong functional dependence. The spin-reversal energy barrier in a Fe(III) single-molecule magnet computed using non-collinear SF-TD-DFT (PBE0, ωPBEh/cc-pVDZ) agrees well with the experimental estimate. 

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3. Hunting for Majoranas

   https://doi.org/10.1126/science.ade0850  

   Yazdani, Ali ; von Oppen, Felix ; Halperin, Bertrand I. ; Yacoby, Amir ( June 2023 , Science)

   BACKGROUND The past decade has witnessed considerable progress toward the creation of new quantum technologies. Substantial advances in present leading qubit technologies, which are based on superconductors, semiconductors, trapped ions, or neutral atoms, will undoubtedly be made in the years ahead. Beyond these present technologies, there exist blueprints for topological qubits, which leverage fundamentally different physics for improved qubit performance. These qubits exploit the fact that quasiparticles of topological quantum states allow quantum information to be encoded and processed in a nonlocal manner, providing inherent protection against decoherence and potentially overcoming a major challenge of the present generation of qubits. Although still far from being experimentally realized, the potential benefits of this approach are evident. The inherent protection against decoherence implies better scalability, promising a considerable reduction in the number of qubits needed for error correction. Transcending possible technological applications, the underlying physics is rife with exciting concepts and challenges, including topological superconductors, non-abelian anyons such as Majorana zero modes (MZMs), and non-abelian quantum statistics.­­ ADVANCES In a wide-ranging and ongoing effort, numerous potential material platforms are being explored that may realize the required topological quantum states. Non-abelian anyons were first predicted as quasiparticles of topological states known as fractional quantum Hall states, which are formed when electrons move in a plane subject to a strong perpendicular magnetic field. The prediction that hybrid materials that combine topological insulators and conventional superconductors can support localized MZMs, the simplest type of non-abelian anyon, brought entirely new material platforms into view. These include, among others, semiconductor-superconductor hybrids, magnetic adatoms on superconducting substrates, and Fe-based superconductors. One-dimensional systems are playing a particularly prominent role, with blueprints for quantum information applications being most developed for hybrid semiconductor-superconductor systems. There have been numerous attempts to observe non-abelian anyons in the laboratory. Several experimental efforts observed signatures that are consistent with some of the theoretical predictions for MZMs. A few extensively studied platforms were subjected to intense scrutiny and in-depth analyses of alternative interpretations, revealing a more complex reality than anticipated, with multiple possible interpretations of the data. Because advances in our understanding of a physical system often rely on discrepancies between experiment and theory, this has already led to an improved understanding of Majorana signatures; however, our ability to detect and manipulate non-abelian anyons such as MZMs remains in its infancy. Future work can build on improved materials in some of the existing platforms but may also exploit new materials such as van der Waals heterostructures, including twisted layers, which promise many new options for engineering topological phases of matter. OUTLOOK Experimentally establishing the existence of non-abelian anyons constitutes an outstandingly worthwhile goal, not only from the point of view of fundamental physics but also because of their potential applications. Future progress will be accelerated if claims of Majorana discoveries are based on experimental tests that go substantially beyond indicators such as zero-bias peaks that, at best, suggest consistency with a Majorana interpretation. It will be equally important that these discoveries build on an excellent understanding of the underlying material systems. Most likely, further material improvements of existing platforms and the exploration of new material platforms will both be important avenues for progress toward obtaining solid evidence for MZMs. Once that has been achieved, we can hope to explore—and harness—the fascinating physics of non-abelian anyons such as the topologically protected ground state manifold and non-abelian statistics. Proposed topological platforms. (Left) Proposed state of electrons in a high magnetic field (even-denominator fractional quantum Hall states) are predicted to host Majorana quasiparticles. (Right) Hybrid structures of superconductors and other materials have also been proposed to host such quasiparticles and can be tailored to create topological quantum bits based on Majoranas. 

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4. High-harmonic generation in spin and charge current pumping at ferromagnetic or antiferromagnetic resonance in the presence of spin–orbit coupling

   https://doi.org/10.1088/2515-7639/aceaad  

   Varela-Manjarres, Jalil ; Nikolić, Branislav K. ( August 2023 , Journal of Physics: Materials)

   One of the cornerstone effects in spintronics is spin pumping by dynamical magnetization that is steadily precessing (around, for example, thez-axis) with frequencyω₀due to absorption of low-power microwaves of frequencyω₀under the resonance conditions and in the absence of any applied bias voltage. The two-decades-old ‘standard model’ of this effect, based on the scattering theory of adiabatic quantum pumping, predicts that component$I^{S_z}$of spin current vector$(I^{S_x}(t),I^{S_y}(t),I^{S_z})\propto {\omega }_0$is time-independent while$I^{S_x}(t)$and$I^{S_y}(t)$oscillate harmonically in time with a single frequencyω₀whereas pumped charge current is zero$I\equiv 0$in the same adiabatic$\propto {\omega }_0$limit. Here we employ more general approaches than the ‘standard model’, namely the time-dependent nonequilibrium Green’s function (NEGF) and the Floquet NEGF, to predict unforeseen features of spin pumping: namely precessing localized magnetic moments within a ferromagnetic metal (FM) or antiferromagnetic metal (AFM), whose conduction electrons are exposed to spin–orbit coupling (SOC) of either intrinsic or proximity origin, will pump both spin$I^{S_{\alpha }}(t)$and chargeI(t) currents. All four of these functions harmonically oscillate in time at both even and odd integer multiples$N{\omega }_0$of the driving frequencyω₀. The cutoff order of such high harmonics increases with SOC strength, reaching$N_{\mathrm{m}\mathrm{a}\mathrm{x}}\simeq 11$in the one-dimensional FM or AFM models chosen for demonstration. A higher cutoff$N_{\mathrm{m}\mathrm{a}\mathrm{x}}\simeq 25$can be achieved in realistic two-dimensional (2D) FM models defined on a honeycomb lattice, and we provide a prescription of how to realize them using 2D magnets and their heterostructures.

    

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5. Room temperature d 0 ferromagnetism in PbS films: nonuniform distribution of Pb vacancies

   https://doi.org/10.1039/C8CP04882G  

   Pimachev, Artem ; Rimal, Gaurab ; Nielsen, Robert D. ; Tang, Jinke ; Dahnovsky, Yuri ( December 2018 , Physical Chemistry Chemical Physics)

   Because of the importance of ferromagnetism at room temperature, we search for new materials that can exhibit a non-vanishing magnetic moment at room temperature and at the same time can be used in spintronics. The experimental results indicate that d 0 ferromagnetism without any magnetic impurities takes place in PbS films made of close-packed lead sulfide nanoparticles of 30 nm. To explain the existence of the d 0 ferromagnetism, we propose a model where various PbS bulk and surface configurations of Pb-vacancies are analyzed. The bulk configurations have a zero magnetic moment while the two surface configurations with Pb vacancies with the same non-vanishing magnetic moments and lowest ground state energies contribute to the total magnetization. Based on the experimental value of the saturation magnetization, 0.2 emu g −1 , we have found that the calculated Pb vacancy concentration should be about 3.5%, which is close to typical experimental values. Besides being very important for applications, there is one feature of PbS d 0 ferromagnetism that makes this material special for fundamental research: PbS ferromagnetism can exhibit topologically driven spatial magnetic moment distributions ( e.g. , magnetic skyrmions) due to large spin–orbit coupling. 

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