arXiv subjects

S. B. Zhang

Publications and source records attributed to S. B. Zhang.

At least 55 records · Page 3Linked to original sources

arXiv2016

Molecular clouds and star formation toward the Galactic plane within 216.25$^{\rm o}\le$ l $\le$218.75$^{\rm o}$ and $-$0.75$^{\rm o} \le$ b $\le$1.25$^{\rm o}$

As a part of the Milky Way Imaging Scroll Painting (MWISP) survey, we performed a simultaneous 12CO(1-0), 13CO(1-0), C18O(1-0) mapping toward molecular clouds in a region encompassing 3.75 square degrees. We reveal three molecular clouds, the 15 km/s cloud, the 27 km/s cloud, and the 50 km/s cloud, in the surveyed region. The 50 km/s cloud is resolved with an angular resolution of around 1' for the first time. Investigating their morphology and velocity structures, we find that the 27 km/s cloud is likely affected by feedback from the stellar association Mon OB3 and the 50 km/s cloud is characterised by three large expanding molecular shells. The region is mapped in C18O (1-0) for the first time. We discover seven C18O clumps, which are likely to form massive stars, and 15 dust clumps based on the BGPS archival data. Using infrared color-color diagrams, we find 56 Class I and 107 Class II young stellar object (YSO) candidates. According to the distribution of YSO candidates, an overdensity is found around the HII region S287 and the intersection of two shells, indicative of triggering. The star formation efficiency and rate of the 27~km/s cloud are discussed. Comparing the observed values of the filament S287-main with the models of fragmentation, we suggest that turbulence controls the large scale of fragmentation in the filament while gravitational fragmentation plays an important role in the formation of YSOs on the small scale. We find that star-forming gas tends to have higher excitation temperature, higher 13CO opacity, and higher column density than non-star-forming gas, which is consistent with the point that star formation happens in denser gas and star-forming gas is heated by YSOs. Using the 1.1 mm dust emission to trace dense gas, we obtain a dense gas fraction of 2.7%-10.4% for the 27 km/s cloud.

astro-ph.GA↗

arXiv2016

A low-surface energy carbon allotrope: the case for bcc-C6

Graphite may be viewed as a low-surface-energy carbon allotrope with little layer-layer interaction. Other low-surface-energy allotropes but with much stronger layer-layer interaction may also exist. Here, we report a first-principles prediction for one of the known carbon allotropes, bcc-C6 (a body centered carbon allotrope with six atoms per primitive unit) that should have exceptionally low-surface energy and little size dependence down to only a couple layer thickness. This unique property may explain the existence of the relatively-high-energy bcc-C6 during growth. The electronic properties of the bcc-C6thin layers can also be intriguing: the (111), (110), and (001) thin layers havedirect band gap, indirect band gap, and metallic character, respectively. The refrained chemical reactivity of the thin layers does not disappear after cleaving, as lithium-doped (Li-doped) 3-layers (111) has a noticeably increased binding energies of H2 molecules with a maximum storage capacity of 10.8 wt%.

cond-mat.mtrl-sci↗

arXiv2015

Realization of Stable Ferromagnetic Order in Topological Insulator: Codoping Enhanced Magnetism in 4f Transition Metal Doped Bi2Se3

The realization of long range and insulating ferromagnetic states in topological insulator (TI) has been a pressing issue since its discovery. Only recently, such state was achieved in Cr-doped Bi2-xSbxTe3, leading to the discovery of quantum anomalous Hall effect (QAHE). However, the effect is only observed at extremely low temperatures mainly due to the limited magnetism. To fully understand the mechanism of the ferromagnetic ordering whereby improving the ferromagnetism, we investigated 4f transition metal-doped Bi2Se3, using density-functional-theory approaches. We found that Eu and Sm prefer the Bi substitutional sites with large magnetic moments to ensure stable long-range ferromagnetic states. Additionally, codoping can be a novel strategy to preserve the insulating property of the host material as well as improving the incorporation of magnetic dopants. Our findings thus offer the critical step in facilitating the realization of QAHE in TI systems.

cond-mat.mtrl-sci↗

arXiv2015

Carbon Kagome lattice and orbital frustration-induced metal-insulator transition for optoelectronics

A three-dimensional elemental carbon Kagome lattice (CKL), made of only fourfold coordinated carbon atoms, is proposed based on first-principles calculations. Despite the existence of 60° bond angles in the triangle rings, widely perceived to be energetically unfavorable, the CKL is found to display exceptional stability comparable to that of C60. The system allows us to study the effects of triangular frustration on the electronic properties of realistic solids, and it demonstrates a metal-insulator transition from that of graphene to a direct gap semiconductor in the visible blue region. By minimizing s-p orbital hybridization, which is an intrinsic property of carbon, not only the band edge states become nearly purely frustrated p states, but also the band structure is qualitatively different from any known bulk elemental semiconductors. For example, the optical properties are similar to those of direct-gap semiconductors GaN and ZnO, whereas the effective masses are comparable or smaller than those of Si.

cond-mat.mtrl-sci↗

arXiv2015

Theory of the Dirac Half Metal and Quantum Anomalous Hall Effect in Mn Intercalated Epitaxial Graphene

The prospect of a Dirac half metal, a material which is characterized by a bandstructure with a gap in one spin channel but a Dirac cone in the other, is of both fundamental interest and a natural candidate for use in spin-polarized current applications. However, while the possibility of such a material has been reported based on model calculations[H. Ishizuka and Y. Motome, Phys. Rev. Lett. 109, 237207 (2012)], it remains unclear what material system might realize such an exotic state. Using first-principles calculations, we show that the experimentally accessible Mn intercalated epitaxial graphene on SiC(0001) transits to a Dirac half metal when the coverage is > 1/3 monolayer. This transition results from an orbital-selective breaking of quasi-2D inversion symmetry, leading to symmetry breaking in a single spin channel which is robust against randomness in the distribution of Mn intercalates. Furthermore, the inclusion of spin-orbit interaction naturally drives the system into the quantum anomalous Hall (QAH) state. Our results thus not only demonstrate the practicality of realizing the Dirac half metal beyond a toy model but also open up a new avenue to the realization of the QAH effect.

cond-mat.str-el↗

arXiv2015

High-Temperature Quantum Anomalous Hall Effect in n-p Codoped Topological Insulators

The quantum anomalous Hall effect (QAHE) is a fundamental quantum transport phenomenon that manifests as a quantized transverse conductance in response to a longitudinally applied electric field in the absence of an external magnetic field, and promises to have immense application potentials in future dissipation-less quantum electronics. Here we present a novel kinetic pathway to realize the QAHE at high temperatures by $n$-$p$ codoping of three-dimensional topological insulators. We provide proof-of-principle numerical demonstration of this approach using vanadium-iodine (V-I) codoped Sb$_2$Te$_3$ and demonstrate that, strikingly, even at low concentrations of $\sim$2\% V and $\sim$1\% I, the system exhibits a quantized Hall conductance, the tell-tale hallmark of QAHE, at temperatures of at least $\sim$ 50 Kelvin, which is three orders of magnitude higher than the typical temperatures at which it has been realized so far. The proposed approach is conceptually general and may shed new light in experimental realization of high-temperature QAHE.

cond-mat.mtrl-sci↗

arXiv2015

False Prediction of Fundamental Properties of Metals by Hybrid Functionals

The repercussions of an inaccurate account of electronic states near the Fermi level EF by hybrid functionals in predicting several important metallic properties are investigated. The diffculties in- clude a vanishing or severely suppressed density of states (DOS) at EF, significantly widened valence bandwidth, greatly enhanced electron-phonon (el-ph) deformation potentials, and an overestimate of magnetic moment in transition metals. The erroneously enhanced el-ph coupling calculated by hybrid functionals may lead to a false prediction of lattice instability. The main culprit of the problem comes from the simplistic treatment of the exchange functional rooted in the original Fock exchange energy. The use of a short-ranged Coulomb interaction alleviates some of the drawbacks but the fundamental issues remain unchanged.

cond-mat.mtrl-sci↗

arXiv2014

Splitting of the topologically-protected Dirac cone without breaking time reversal symmetry

Topological insulators (TIs) are a new class of matter characterized by the unique electronic properties of an insulating bulk and metallic boundaries arising from non-trivial bulk band topology. While the surfaces of TIs have been well studied, the interface between TIs and semiconductors may not only be more technologically relevant but the interaction with non-topological states may fundamentally alter the physics. Here, we present a general model to show that such an interaction can lead to spin-momentum locked non-topological states, the Dirac cone can split in two, and the particle-hole symmetry can be fundamentally broken, along with their possible ramifications. Unlike magnetic doping or alloying, these phenomena occur without topological transitions or the breaking of time reversal symmetry. The model results are corroborated by first-principles calculations of the technologically relevant Bi$_2$Se$_3$ film van der Waals bound to a Se-treated GaAs substrate.

cond-mat.mtrl-sci↗

arXiv2014

Magnetic, thermodynamic, and electrical transport properties of the noncentrosymmetric B20 germanides MnGe and CoGe

We present magnetization, specific heat, resistivity, and Hall effect measurements on the cubic B20 phase of MnGe and CoGe and compare to measurements of isostructural FeGe and electronic structure calculations. In MnGe, we observe a transition to a magnetic state at $T_c=275$ K as identified by a sharp peak in the ac magnetic susceptibility, as well as second phase transition at lower temperature that becomes apparent only at finite magnetic field. We discover two phase transitions in the specific heat at temperatures much below the Curie temperature one of which we associate with changes to the magnetic structure. A magnetic field reduces the temperature of this transition which corresponds closely to the sharp peak observed in the ac susceptibility at fields above 5 kOe. The second of these transitions is not affected by the application of field and has no signature in the magnetic properties or our crystal structure parameters. Transport measurements indicate that MnGe is metal with a negative magnetoresistance similar to that seen in isostructural FeGe and MnSi. Hall effect measurements reveal a carrier concentration of about 0.5 carriers per formula unit also similar to that found in FeGe and MnSi. CoGe is shown to be a low carrier density metal with a very small, nearly temperature independent diamagnetic susceptibility.

cond-mat.str-el↗

arXiv2013

High-harmonic probing of electronic coherence in dynamically aligned molecules

We introduce and demonstrate a new approach to measuring coherent electron wave packets using high-harmonic spectroscopy. By preparing a molecule in a coherent superposition of electronic states, we show that electronic coherence opens previously unobserved high-harmonic-generation channels that connect distinct but coherently related electronic states. Performing the measurements in dynamically aligned nitric oxide (NO) molecules we observe the complex temporal evolution of the electronic coherence under coupling to nuclear motion. Choosing a weakly allowed transition to prepare the wave packet, we demonstrate an unprecedented sensitivity that arises from optical interference between coherent and incoherent pathways. This mechanism converts a 0.1 $%$ excitation fraction into a $\sim$20 $%$ signal modulation.

physics.chem-ph↗

arXiv2013

Realizing Chemical Codoping in Oxide Semiconductors

We demonstrate experimentally a chemical codoping approach that would simultaneously narrow the band gap and control the band edge positions of oxide semiconductors. Using TiO2 as an example, we show that a sequential doping scheme with nitrogen (N) leading the way, followed by phosphorous (P), is crucial for the incorporation of both N and P into the anion sites. Various characterization techniques confirm the formation of the N-P bonds, and as a consequence of the chemical codoping, the band gap of the TiO2 is reduced from 3.0 eV to 1.8 eV. The realization of chemical codoping could be an important step forward in improving the general performance of electronic and optoelectronic materials and devices.

cond-mat.mtrl-sci↗

arXiv2012

Dirac Fermion in Strongly-Bound Graphene Systems

It is highly desirable to integrate graphene into existing semiconductor technology, where the combined system is thermodynamically stable yet maintain a Dirac cone at the Fermi level. Firstprinciples calculations reveal that a certain transition metal (TM) intercalated graphene/SiC(0001), such as the strongly-bound graphene/intercalated-Mn/SiC, could be such a system. Different from free-standing graphene, the hybridization between graphene and Mn/SiC leads to the formation of a dispersive Dirac cone of primarily TM d characters. The corresponding Dirac spectrum is still isotropic, and the transport behavior is nearly identical to that of free-standing graphene for a bias as large as 0.6 V, except that the Fermi velocity is half that of graphene. A simple model Hamiltonian is developed to qualitatively account for the physics of the transfer of the Dirac cone from a dispersive system (e.g., graphene) to an originally non-dispersive system (e.g., TM).

cond-mat.mes-hall↗

arXiv2011

Fermi Level Tuning of Epitaxial Sb2Te3 Thin Films on Graphene by Regulating Intrinsic Defects and Substrate Transfer Doping

High-quality Sb2Te3 films are obtained by molecular beam epitaxy on graphene substrate and investigated by in situ scanning tunneling microscopy/spectroscopy. Intrinsic defects responsible for the natural p-type conductivity of Sb2Te3 are identified to be the Sb vacancies and SbTe antisites in agreement with first-principles calculations. By minimizing defect densities, coupled with a transfer doping by the graphene substrate, the Fermi level of Sb2Te3 thin films can be tuned over the entire range of the bulk band gap. This establishes the necessary condition to explore topological insulator behaviors near the Dirac point.

cond-mat.mtrl-sci↗

arXiv2011

Activated dissociation of O2 on Pb(111) surfaces by Pb adatoms

We investigate the dissociation of O2 on Pb(111) surface using first-principles calculations. It is found that in a practical high-vacuum environment, the adsorption of molecular O2 takes place on clean Pb surfaces only at low temperatures such as 100 K, but the O2 easily desorbs at (elevated) room temperatures. It is further found that the Pb adatoms enhance the molecular adsorption and activate the adsorbed O2 to dissociate during subsequent room-temperature annealing. Our theory explains the observation of a two-step oxidation process on the Pb surfaces by the unique role of Pb adatoms.

physics.chem-ph↗

arXiv2011

Sr3Co2O6: a possible frustrated spin-chain material

A dense phase of a post-layered perovskite Sr3Co2O6 was created by a high-pressure and high-temperature synthetic route and quenched to ambient conditions. The structure of Sr3Co2O6 was determined by synchrotron X-ray powder diffraction. Sr3Co2O6 crystallizes in the K4CdCl6-type structure (an infinite chain-type structure), which is 6% denser than the known, iso-compositional layered perovskite Sr3Co2O7-d (d~1). The K4CdCl6-type Sr3Co2O6 shows complex magnetic behavior reflecting the spin-chain nature as well as the analogue oxides Ca3Co2O6 and Ca3CoRhO6, whose microscopic magnetic origin is still highly debated.

cond-mat.str-el↗

arXiv2011

Early phase of massive star formation: A case study of Infrared dark cloud G084.81-01.09

We mapped the MSX dark cloud G084.81-01.09 in the NH3 (1,1) - (4,4) lines and in the J = 1-0 transitions of 12CO, 13CO, C18O and HCO+ in order to study the physical properties of infrared dark clouds, and to better understand the initial conditions for massive star formation. Six ammonia cores are identified with masses ranging from 60 to 250 M_sun, a kinetic temperature of 12 K, and a molecular hydrogen number density n(H2) ~ 10^5 cm^-3. In our high mass cores, the ammonia line width of 1 km/s is larger than those found in lower mass cores but narrower than the more evolved massive ones. We detected self-reversed profiles in HCO+ across the northern part of our cloud and velocity gradients in different molecules. These indicate an expanding motion in the outer layer and more complex motions of the clumps more inside our cloud. We also discuss the millimeter wave continuum from the dust. These properties indicate that our cloud is a potential site of massive star formation but is still in a very early evolutionary stage.

astro-ph.SR↗

arXiv2010

Magnetic and electrical properties and carrier doping effects on the Fe-based host compound Sr4Sc2Fe2As2O6

Additional charge carriers were introduced to the iron oxyarsenide Sr4Sc2Fe2As2O6 under a high-pressure condition, followed by measurements of electrical resistivity, Hall coefficient, and magnetic susceptibility. The host compound Sr4Sc2Fe2As2O6 shows metallic conductivity down to ~200 K and turns to show a semiconducting-like conductivity accompanied by a positive magneto-resistance (22% at 70 kOe). Although the carrier density is comparable at 300 K (5.9x1021 cm-3) with that of the other Fe-based superconductors, no superconductivity appears down to 2 K. This is primarily because the net carrier density decreases over 3 orders of magnitude on cooling and additionally a possible magnetic order at ~120 K prevents carriers from pairing. The properties were altered largely by introducing the additional carriers.

cond-mat.supr-con↗

arXiv2010

Striking Zn impurity effect on the Fe-based superconductor BaFe1.87Co0.13As2

Nonmagnetic impurity effect was studied on the n-type Fe-based superconductor BaFe1.87Co0.13As2 (Tc = 25 K) by a successful Zn substitution for Fe up to 7 at.%. Magnetic susceptibility, electrical resistivity, specific heat, and Hall coefficient measurements indicated that Tc linearly decreases with the Zn concentration and disappears at 7 at.%. The result is quantitatively comparable with what was observed for YBCO, while it disagrees with a recent report for the p-type Ba0.5K0.5Fe2As2. Fragile SC against a nonmagnetic impurity was first confirmed for the n-type 122 Fe-based superconductor.

cond-mat.supr-con↗