First-principles Study of High-Pressure Phase Stability and Superconductivity of Bi4I4

Bismuth iodide Bi4I4 exhibits intricate crystal structures and topological insulating states that are highly susceptible to influence by environments, making its physical properties highly tunable by external conditions. In this work, we study the evolution of structural and electronic properties of Bi4I4 at high pressure using an advanced structure search method in conjunction with first-principles calculations. Our results indicate that the most stable ambient-pressure monoclinic α−Bi4I4 phase in C2/m symmetry transforms to a trigonal P31c structure (ɛ−Bi4I4) at 8.4 GPa, then to a tetragonal P4/mmm structure (ζ−Bi4I4) above 16.6 GPa. In contrast to the semiconducting nature of ambient-pressure Bi4I4, the two high-pressure phases are metallic, in agreement with reported electrical measurements. The ɛ−Bi4I4 phase exhibits distinct ionic states of Iδ− and (Bi4I3)δ + (δ=0.4123 e), driven by a pressure-induced volume reduction. We show that both ɛ- and ζ−Bi4I4 are superconductors, and the emergence of pressure-induced superconductivity might be intimately linked to the underlying structural phase transitions

Computational Discovery of A New Rhombohedral Diamond Phase

We identify by first-principles calculations a new diamond phase in R¯3c (D63d) symmetry, which has a 16-atom rhombohedral primitive cell, thus termed R16 carbon. This rhombohedral diamond comprises a characteristic all-sp3 six-membered-ring bonding network, and it is energetically more stable than previously identified diamondlike six-membered-ring bonded BC8 and BC12 carbon phases. A phonon mode analysis verifies the dynamic structural stability of R16 carbon, and electronic band calculations reveal that it is an insulator with a direct band gap of 4.45 eV. Simulated x-ray diffraction patterns provide an excellent match to recently reported distinct diffraction peaks found in milled fullerene soot, suggesting a viable experimental synthesis route. These findings pave the way for further exploration of this new diamond phase and its outstanding properties

Smooth Flow in Diamond: Atomistic Ductility and Electronic Conductivity

Diamond is the quintessential superhard material widely known for its stiff and brittle nature and large electronic band gap. In stark contrast to these established benchmarks, our first-principles studies unveil surprising intrinsic structural ductility and electronic conductivity in diamond under coexisting large shear and compressive strains. These complex loading conditions impede brittle fracture modes and promote atomistic ductility, triggering rare smooth plastic flow in the normally rigid diamond crystal. This extraordinary structural change induces a concomitant band gap closure, enabling smooth charge flow in deformation created conducting channels. These startling soft-and-conducting modes reveal unprecedented fundamental characteristics of diamond, with profound implications for elucidating and predicting diamond’s anomalous behaviors at extreme conditions

Rare Helium-Bearing Compound FeO2He Stabilized at Deep-Earth Conditions

There is compelling geochemical evidence for primordial helium trapped in Earth’s lower mantle, but the origin and nature of the helium source remain elusive due to scarce knowledge on viable helium-bearing compounds that are extremely rare. Here we explore materials physics underlying this prominent challenge. Our structure searches in conjunction with first-principles energetic and thermodynamic calculations uncover a remarkable helium-bearing compound FeO2He at high pressure-temperature conditions relevant to the core-mantle boundary. Calculated sound velocities consistent with seismic data validate FeO2He as a feasible constituent in ultralow velocity zones at the lowermost mantle. These mutually corroborating findings establish the first and hitherto only helium-bearing compound viable at pertinent geophysical conditions, thus providing vital physics mechanisms and materials insights for elucidating the enigmatic helium reservoir in deep Earth

Kondo Signatures of a Quantum Magnetic Impurity in Topological Superconductors

We study the Kondo physics of a quantum magnetic impurity in two-dimensional topological superconductors (TSCs), either intrinsic or induced on the surface of a bulk topological insulator, using a numerical renormalization group technique. We show that, despite sharing the p+ip pairing symmetry, intrinsic and extrinsic TSCs host different physical processes that produce distinct Kondo signatures. Extrinsic TSCs harbor an unusual screening mechanism involving both electron and orbital degrees of freedom that produces rich and prominent Kondo phenomena, especially an intriguing pseudospin Kondo singlet state in the superconducting gap and a spatially anisotropic spin correlation. In sharp contrast, intrinsic TSCs support a robust impurity spin doublet ground state and an isotropic spin correlation. These findings advance fundamental knowledge of novel Kondo phenomena in TSCs and suggest experimental avenues for their detection and distinction

Enhanced Tunnelling in a Hybrid of Single-Walled Carbon Nanotubes and Graphene

Transparent and conductive films (TCFs) are of great technological importance. The high transmittance, electrical conductivity and mechanical strength make single-walled carbon nanotubes (SWCNTs) a good candidate for their raw material. Despite the ballistic transport in individual SWCNTs, however, the electrical conductivity of their networks is limited by low efficiency of charge tunneling between the tube elements. Here, we demonstrate that the nanotube network sheet resistance at high optical transmittance is decreased by more than 50% when fabricated on graphene and thus provides a comparable improvement as widely adopted gold chloride ($\mathrm{AuCl_3}$) doping. However, while Raman spectroscopy reveals substantial changes in spectral features of doped nanotubes, no similar effect is observed in presence of graphene. Instead, temperature dependent transport measurements indicate that graphene substrate reduces the tunneling barrier heights while its parallel conductivity contribution is almost negligible. Finally, we show that combining the graphene substrate and $\mathrm{AuCl_3}$ doping, the SWCNT thin films can exhibit sheet resistance as low as 36 $\Omega$/sq. at 90% transmittance.Comment: 21 pages, 6 figure

Sunshine duration reconstruction in the southeastern Tibetan Plateau based on tree-ring width and its relationship to volcanic eruptions

Sunshine is as essential as temperature and precipitation for tree growth, but sunshine duration reconstructions based on tree rings have not yet been conducted in China. In this study, we presented a 497-year sunshine duration reconstruction for the southeastern Tibetan Plateau using a width chronology of Abies forrestii from the central Hengduan Mountains. The reconstruction accounted for 53.5% of the variance in the observed sunshine during the period of 1961-2013 based on a stable and reliable linear regression. This reconstructed sunshine duration contained six sunny periods (1630-1656, 1665-1697, 1731-1781, 1793-1836, 1862-1895 and 1910-1992) and seven cloudy periods (1522-1629, 1657-1664, 1698-1730, 1782-1792, 1837-1861, 1896-1909 and 1993-2008) at a low-frequency scale. There was an increasing trend from the 16th century to the late 18th and early 19th centuries and a decreasing trend from the mid-19th to the early 21st centuries. Sunshine displayed inverse patterns to the local Palmer drought severity index on a multidecadal scale, indicating that this region likely experienced droughts under more sunshine conditions. The decrease in sunshine particularly in recent decades was mainly due to increasing atmospheric anthropogenic aerosols. In terms of the interannual variations in sunshine, weak sunshine years matched well with years of major volcanic eruptions. The significant cycles of the 2- to 7-year, 20.0-year and 35.2-year durations as well as the 60.2-year and 78.7-year durations related to the El-Nino Southern Oscillation, the Pacific Decadal Oscillation and the Atlantic Multidecadal Oscillation suggested that the variation in sunshine duration in the southeastern Tibetan Plateau was possibly affected by large-scale ocean-atmosphere circulations. (C) 2018 Elsevier B.V. All rights reserved

A New Hybrid Power Configuration In HEV and Its Driving BLDC Development

Hybrid electric vehicle (HEV) that has the advantages of high performance, high fuel efficiency, low emission, and long operating range is focused on nowadays. A new hybrid power configuration used in HEV is presented with different control strategies and HEV performances when equipping different weight of fuel power and battery one. In order to realize the new hybrid power configuration especially in the refitted HEV, fractional-slot concentrated-winding BLDC with higher rated spinning speed is given and the prototyped one is developed and fabricated which satisfies successfully the requirements of high performance and demission restriction for the refitted HEV

Tree-ring stable carbon isotope-based April-June relative humidity reconstruction since AD 1648 in Mt. Tianmu, China

Based on accurate dating, we have determined the stable carbon isotope ratios (delta C-13) of five Cryptomeria fortunei specimens from Mt. Tianmu, a subtropical area in southern China. The five delta C-13 time series records are combined into a single representative delta C-13 time series using a "numerical mix method." These are normalized to remove temporal variations of delta(13) C in atmospheric CO2 to obtain a carbon isotopic discrimination (Delta C-13) time series, in which we observe a distinct correlation between Delta C-13 and local April to June mean relative humidity (RH (AMJ) ) (n = 64, r = 0.858, p < 0.0001). We use this relationship to reconstruct RH (AMJ) variations from ad 1648 to 2014 at Mt. Tianmu. The reconstructed sequence show that over the past 367 years, Mt. Tianmu area was relatively wet, but in the latter part of the twentieth century, under the influence of increasing global warming, it has experienced a sharp reduction in relative humidity. Spatial correlation analysis reveals a significant negative correlation between RH (AMJ) at Mt. Tianmu and Sea Surface Temperature (SSTs) in the western equatorial Pacific and Indian Ocean. In other words, there is a positive correlation between tree-ring delta C-13 in Mt. Tianmu and SSTs. Both observed and reconstructed RH (AMJ) show significant positive correlations with East Asian and South Asian monsoons from 1951 to 2014, which indicate that RH (AMJ) from Mt. Tianmu reflects the variability of the Asian summer monsoon intensity to a great extent. The summer monsoon has weakened since 1960. However, an increase in relative humidity since 2003 implies a recent enhancement in the summer monsoon