Quasi-2D spin-Peierls transition through interstitial anionic electrons in K(NH3)2.

Electron-phonon interactions and electron-electron correlations represent two crucial facets of condensed matter physics. For instance, in a half-filled spin-1/2 anti-ferromagnetic chain, the lattice dimerization induced by electron-nucleus interaction can be intensified by onsite Coulomb repulsion, resulting in a spin-Peierls state. Through first-principles calculations and crystal structure prediction methods, we have identified that under mild pressures, potassium and ammonia can form stable compounds: R3¯m K(NH3)2, Pm3¯m K(NH3)2, and Cm K2(NH3)3. Our predictions suggest that the R3¯m K(NH3)2 exhibits electride characteristics, marked by the formation of interstitial anionic electrons (IAEs) in the interlayer space. These IAEs are arranged in quasi-two-dimensional triangular arrays. With increasing pressure, the electronic van-Hove singularity shifts toward the Fermi level, resulting in an augmented density of states and the onset of both Peierls and magnetic instabilities. Analyzing these instabilities, we determine that the ground state of the R3¯m K(NH3)2 is the dimerized P21/m phase with zigzag-type anti-ferromagnetic IAEs. This state can be described by the triangular-lattice antiferromagnetic Heisenberg model with modulated magnetic interactions. Furthermore, we unveil the coexistence and positive interplay between magnetic and Peierls instability, constituting a scenario of spin-Peierls instability unprecedented in realistic 2D materials, particularly involving IAEs. This work provides valuable insights into the coupling of IAEs with the adjacent lattice and their spin correlations in quantum materials.

Spin-resolved topology and partial axion angles in three-dimensional insulators.

Symmetry-protected topological crystalline insulators (TCIs) have primarily been characterized by their gapless boundary states. However, in time-reversal- ([Formula: see text]-) invariant (helical) 3D TCIs-termed higher-order TCIs (HOTIs)-the boundary signatures can manifest as a sample-dependent network of 1D hinge states. We here introduce nested spin-resolved Wilson loops and layer constructions as tools to characterize the intrinsic bulk topological properties of spinful 3D insulators. We discover that helical HOTIs realize one of three spin-resolved phases with distinct responses that are quantitatively robust to large deformations of the bulk spin-orbital texture: 3D quantum spin Hall insulators (QSHIs), "spin-Weyl" semimetals, and [Formula: see text]-doubled axion insulator (T-DAXI) states with nontrivial partial axion angles indicative of a 3D spin-magnetoelectric bulk response and half-quantized 2D TI surface states originating from a partial parity anomaly. Using ab-initio calculations, we demonstrate that ß-MoTe2 realizes a spin-Weyl state and that α-BiBr hosts both 3D QSHI and T-DAXI regimes.

Observation of Emergent Superconductivity in the Topological Insulator Ta2Pd3Te5 via Pressure Manipulation.

Topological insulators offer significant potential to revolutionize diverse fields driven by nontrivial manifestations of their topological electronic band structures. However, the realization of superior integration between exotic topological states and superconductivity for practical applications remains a challenge, necessitating a profound understanding of intricate mechanisms. Here, we report experimental observations for a novel superconducting phase in the pressurized second-order topological insulator candidate Ta2Pd3Te5, and the high-pressure phase maintains its original ambient pressure lattice symmetry up to 45 GPa. Our in situ high-pressure synchrotron X-ray diffraction, electrical transport, infrared reflectance, and Raman spectroscopy measurements, in combination with rigorous theoretical calculations, provide compelling evidence for the association between the superconducting behavior and the densified phase. The electronic state change around 20 GPa was found to modify the topology of the Fermi surface directly, which synergistically fosters the emergence of robust superconductivity. In-depth comprehension of the fascinating properties exhibited by the compressed Ta2Pd3Te5 phase is achieved, highlighting the extraordinary potential of topological insulators for exploring and investigating high-performance electronic advanced devices under extreme conditions.

Discovery of Metastable W3P Single Crystals with High Hardness and Superconductivity.

Hard and superconducting materials play significant roles in their respective application areas and are also crucial research fields in condensed matter physics. Materials with the key properties of both hard and superconducting properties could lead to technology development, but it is also full of challenges. Herein, we report the synthesis of high-quality metastable W3P single crystals with superconductivity and excellent mechanical properties. The synergistic effect of temperature and pressure was effective in suppressing further decomposition of metastable W3P as-synthesized by our synthesis technique (high-pressure and high-temperature method). The transport and magnetic measurements indicate that W3P is a typical type-II BCS superconductor, displaying a superconducting transition temperature of 5.9 K and an impressive critical magnetic field of 4.35 T. Theory calculations reveal a metallic property in W3P, and the phonon modes of the vibration of W atoms are important for electron-phonon interaction. Meanwhile, W3P shows excellent mechanical properties with a high fracture toughness of 8 MPa m1/2 and an impressive asymptotic hardness of 22 GPa, which is currently reported as being the hardest among transition metal phosphides. It opens up a new class of advanced materials that combine excellent mechanical properties with superconductivity.

A robust and tunable Luttinger liquid in correlated edge of transition-metal second-order topological insulator Ta2Pd3Te5.

The interplay between topology and interaction always plays an important role in condensed matter physics and induces many exotic quantum phases, while rare transition metal layered material (TMLM) has been proved to possess both. Here we report a TMLM Ta2Pd3Te5 has the two-dimensional second-order topology (also a quadrupole topological insulator) with correlated edge states - Luttinger liquid. It is ascribed to the unconventional nature of the mismatch between charge- and atomic- centers induced by a remarkable double-band inversion. This one-dimensional protected edge state preserves the Luttinger liquid behavior with robustness and universality in scale from micro- to macro- size, leading to a significant anisotropic electrical transport through two-dimensional sides of bulk materials. Moreover, the bulk gap can be modulated by the thickness, resulting in an extensive-range phase diagram for Luttinger liquid. These provide an attractive model to study the interaction and quantum phases in correlated topological systems.

Unconventional materials: the mismatch between electronic charge centers and atomic positions.

The complete band representations (BRs) have been constructed in the work of topological quantum chemistry. Each BR is expressed by either a localized orbital at a Wyckoff site in real space, or by a set of irreducible representations in momentum space. In this work, we define unconventional materials with a common feature of the mismatch between average electronic centers and atomic positions. They can be effectively diagnosed as whose occupied bands can be expressed as a sum of elementary BRs (eBRs), but not a sum of atomic-orbital-induced BRs (aBRs). The existence of an essential BR at an empty site is described by nonzero real-space invariants (RSIs). The "valence" states can be derived by the aBR decomposition, and unconventional materials are supposed to have an uncompensated total "valence" state. The high-throughput screening for unconventional materials has been performed through the first-principles calculations. We have discovered 423 unconventional compounds, including thermoelectronic materials, higher-order topological insulators, electrides, hydrogen storage materials, hydrogen evolution reaction electrocatalysts, electrodes, and superconductors. The diversity of these interesting properties and applications would be widely studied in the future.

Reduction of missed diagnosis of G6PD deficiency in heterozygous females by G6PD/6PGD ratio assay combined with ARMS-PCR.

OBJECTIVE: Glucose-6-phosphate dehydrogenase (G6PD) deficiency is an X-linked genetic disorder that results in impaired enzyme activity. The G6PD/6PGD ratio assay was routinely used for G6PD deficiency screening in China, but there is an apparent defect of missed diagnosis in heterozygous females. The study aims to explore the means to improve its accuracy. METHODS: A total of 4161 Chinese females of childbearing age were collected in this retrospective study. All samples were first subjected to G6PD/6PGD ratio assay and then screened by amplification refractory mutation system PCR (ARMS-PCR) for six hotspot mutants in Chinese population (c.1376G>T, c.1388G>A, c.95A>G, c.1024C>T, c.392G>T, and c.871G>A). For the samples with G6PD/6PGD ratio <1.0 and no mutations were found by ARMS-PCR, next-generation sequencing (NGS) was performed. Sanger sequencing was finally used to verify all the variants. RESULTS: The prevalence of G6PD deficiency in Shenzhen females of childbearing age was 7.31%. The proportion of the six hotspot mutations accounted for 98.03% of all 304 G6PD variants carriers. Taking the ARMS-PCR/NGS results as a reference, the missed diagnosis rate of the G6PD/6PGD ratio assay was 33.88%. Using ARMS-PCR to retest the samples with a G6PD/6PGD ratio between 1.00~1.10 or 1.00~1.15 could reduce the missed diagnosis rate from the original 33.88% to 18.09% or 12.05% separately. CONCLUSION: ARMS-PCR is an appropriate supplementary method for discovering most carriers missed by the G6PD/6PGD ratio assay.

A Heterogeneity Study of Carbon Emissions Driving Factors in Beijing-Tianjin-Hebei Region, China, Based on PGTWR Model.

The Beijing-Tianjin-Hebei region is an important economic growth pole in China and achieving carbon emission reduction in the region is of great practical significance. Studying the heterogeneity of the influencing factors of carbon emission in this region contributes to formulating targeted regional carbon emission reduction policies. Therefore, this paper adopted thirteen cities as individuals of cross-section and conducted spatial and temporal heterogeneity analysis of the influencing factors of converted carbon emissions in the region with panel data from 2013 to 2018 based on the PGTWR model. From a space-time perspective, the regression coefficient of each influencing factor in this region has obvious heterogeneity, which is mainly reflected in the time dimension. In the study period, the impact of industrial structure, the level of urbanization, energy intensity, and the level of economic growth on carbon emission showed a decline curve, while the impact of the level of opening up and the size of population was on the rise, indicating that more attention should be paid to the latter two factors for the time to come. In terms of space, the differences in the influence of industrial structure and energy intensity on carbon emission vary significantly.

Molecular Characterization of Glucose-6-Phosphate Dehydrogenase Deficiency in the Shenzhen Population.

BACKGROUND: Glucose-6-phosphate dehydrogenase (G6PD) deficiency is caused by one or more mutations in the G6PD gene on chromosome X. This study aimed to characterize the G6PD gene variant distribution in Shenzhen of Guangdong province. METHODS: A total of 33,562 individuals were selected at the hospital for retrospective analysis, of which 1,213 cases with enzymatic activity-confirmed G6PD deficiency were screened for G6PD gene variants. Amplification refractory mutation system PCR was first used to screen the 6 dominant mutants in the Chinese population (c.1376G>T, c.1388G>A, c.95A>G, c.1024C>T, c.392G>T, and c.871G>A). If the 6 hotspot variants were not found, next-generation sequencing was then performed. Finally, Sanger sequencing was used to verify all the mutations. RESULTS: The incidence of G6PD deficiency in this study was 3.54%. A total of 26 kinds of mutants were found in the coding region, except for c.-8-624T>C, which was in the noncoding region. c.1376G>T and c.1388G>A, both located in exon 12, were the top 2 mutants, accounting for 68.43% of all individuals. The 6 hotspot mutations had a cumulative proportion of 94.02%. CONCLUSIONS: This study provided detailed characteristics of G6PD gene variants in Shenzhen, and the results would be valuable to enrich the knowledge of G6PD deficiency.

Nonsymmorphic symmetry protected node-line semimetal in the trigonal YH3.

Using ab initio calculations based on density-functional theory and effective model analysis, we propose that the trigonal YH3 (Space Group: P[Formula: see text]c1) at ambient pressure is a node-line semimetal when spin-orbit coupling (SOC) is ignored. This trigonal YH3 has very clean electronic structure near Fermi level and its nodal lines locate very closely to the Fermi energy, which makes it a perfect system for model analysis. Symmetry analysis shows that the nodal ring in this compound is protected by the glide-plane symmetry, where the band inversion of |Y+, d xz 〉 and |H1-, s〉 orbits at Γ point is responsible for the formation of the nodal lines. When SOC is included, the line nodes are prohibited by the glide-plane symmetry, and a small gap (≈5 meV) appears, which leads YH3 to be a strong topological insulator with Z2 indices (1,000). Thus the glide-plane symmetry plays an opposite role in the formation of the nodal lines in cases without and with SOC. As the SOC-induced gap is so small that can be neglected, this P[Formula: see text]c1 YH3 may be a good candidate for experimental explorations on the fundamental physics of topological node-line semimetals. We find the surface states of this P[Formula: see text]c1 phase are somehow unique and may be helpful to identify the real ground state of YH3 in the experiment.

Evidence for a Dirac nodal-line semimetal in SrAs3.

Dirac nodal-line semimetals with the linear bands crossing along a line or loop, represent a new topological state of matter. Here, by carrying out magnetotransport measurements and performing first-principle calculations, we demonstrate that such a state has been realized in high-quality single crystals of SrAs3. We obtain the nontrivial π Berry phase by analysing the Shubnikov-de Haas quantum oscillations. We also observe a robust negative longitudinal magnetoresistance induced by the chiral anomaly. Accompanying first-principles calculations identifies that a single hole pocket enclosing the loop nodes is responsible for these observations.