Halogens are among the most electronegative elements, and the variations in size and polarizability of halogens require different descriptions of the intermolecular bonds they form. Here we use the inelastic tunneling probe (itProbe) to acquire real-space imaging of intermolecular-bonding structures in the two-dimensional self-assembly of halogenbenzene molecules on a metal surface. Direct visualization is obtained for the intermolecular attraction and the "windmill" pattern of bonding among the fully halogenated molecules. Our results provide a hitherto missing understanding of the nature of the halogen bond.
Based on the first-principles band structure calculations, we investigate the effects of hydrostatic pressure on the conventional insulator (CI) Sb2Se3 and predict that it undergoes a topological quantum phase transition from a CI to a non-trivial topological insulator at a critical pressure value. The pressure induced topological quantum phase transition is confirmed by calculating the evolution of the bulk energy gap as a function of pressure, the inversion of energy band structure and the Z2 topological invariant as well as the existence of the Dirac-like topological surface states. Our predictions can be tested by both spectroscopy and transport experiments.
Electronic and topological properties of MoS2 monolayers endowed with 3d transition metal (TM) adatoms (V-Fe) are explored by using ab initio methods and k· p models. Without the consideration of the Hubbard U interaction, the V, Cr, and Fe adatoms tend to locate on the top of the Mo atoms, while the most stable site for the Mn atom is at the hollow position of the Mo-S hexagon. After the Hubbard U is applied, the most stable sites of all the systems become the top of the Mo atoms.Chern insulators without band inversion are achieved in these systems. The V and Fe adsorption systems are the best candidates to produce the topological states. The k· p model calculations indicate that these topological states are determined by the TM magnetism, the C3v crystal field from the MoS2 substrate, and the TM atomic spin-orbit coupling (SOC). The special two-meron pseudospin texture is found to contribute to the topology. The apparent difference between the Berry curvatures for the V and Fe adsorption systems are also explored. Our results widen the understanding to the Chern insulators and are helpful for the applications of the MoS2 monolayers in the future electronics and spintronics.
Boreal forest fire history is typically reconstructed using tree-ring based time since last fire (TSLF) frequency distributions from across the landscape. We employed stochastic landscape fire simulations to assess how large a study area and how many TSLF sample-points are required to estimate the fire cycle (FC) within a given accuracy, and if those requirements change with length of the simulated fire rotation (FRS). FRS is calculated from simulated fire-year maps used to create the TSLF map, and is the “true” measure of fire history that FC estimates should equal. Fire-year maps were created by (i) using a spatially homogenous landscape, (ii) imposing large variations in annual area burned, and (iii) having no age-related change in the hazard of burning. We found that study areas should be ≥3× the size of largest total annual area burned, with smaller-scale areas having a bias that cannot be fixed by employing more samples. For a study area scale of 3×, a FC estimate with an error <10% was obtained with 187 TSLF samples at 0.81 samples per 100 km2. FC estimates were not biased in study area scales that were ≥3×, but smaller-scale areas with a short FRS had an overestimated FC and smaller-scale areas with a long FRS had an underestimated FC. Site specific variations in environmental- and age-related variations in the hazard of burning may require more sample-points; site specific simulations should thus be conducted to determine sample numbers before conducting a TSLF field study.
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