1,329 research outputs found
Clean and As-covered zinc-blende GaN (001) surfaces: Novel surface structures and surfactant behavior
We have investigated clean and As-covered zinc-blende GaN (001) surfaces,
employing first-principles total-energy calculations. For clean GaN surfaces
our results reveal a novel surface structure very different from the
well-established dimer structures commonly observed on polar III-V (001)
surfaces: The energetically most stable surface is achieved by a Peierls
distortion of the truncated (1x1) surface rather than through addition or
removal of atoms. This surface exhibits a (1x4) reconstruction consisting of
linear Ga tetramers. Furthermore, we find that a submonolayer of arsenic
significantly lowers the surface energy indicating that As may be a good
surfactant. Analyzing surface energies and band structures we identify the
mechanisms which govern these unusual structures and discuss how they might
affect growth properties.Comment: 4 pages, 3 figures, to be published in Appears in Phys. Rev. Lett.
(in print). Other related publications can be found at
http://www.rz-berlin.mpg.de/th/paper.htm
On The Shores Of The Delaware
https://digitalcommons.library.umaine.edu/mmb-vp/4464/thumbnail.jp
First Principles Calculations of Charge and Spin Density Waves of sqr3-Adsorbates on Semiconductors
We present ab-initio electronic structure results on the surface of sqr3
adsorbates. In particular, we address the issue of metal-insulator
instabilities, charge-density-waves (CDWs) or spin-density-waves (SDWs), driven
by partly filled surface states and their 2D Fermi surface, and/or by the onset
of magnetic instabilities. The focus is both on the newly discovered
commensurate CDW transitions in the Pb/Ge(111) and Sn/Ge(111) structures, and
on the puzzling semiconducting behavior of the Pb/Ge(111), K/Si(111):B and
SiC(0001) surfaces. In all cases, the main factor driving the instability
appears to be an extremely narrow surface state band. We have carried out so
far preliminary calculations for the Si/Si(111) surface, chosen as our model
system, within the gradient corrected local density (LDA+GC) and local spin
density (LSD+GC) approximations, with the aim of understanding the possible
interplay between 2D Fermi surface and electron correlations in the surface +
adsorbate system. Our spin- unrestricted results show that the sqr3
paramagnetic surface is unstable towards a commensurate SDW with periodicity
3x3 and magnetization 1/3.Comment: 9 pages, 4 Postscript figures, to be published in Surf. Sc
Observation of Buried Phosphorus Dopants near Clean Si(100)-(2x1) with Scanning Tunneling Microscopy
We have used scanning tunneling microscopy to identify individual phosphorus
dopant atoms near the clean silicon (100)-(2x1) reconstructed surface. The
charge-induced band bending signature associated with the dopants shows up as
an enhancement in both filled and empty states and is consistent with the
appearance of n-type dopants on compound semiconductor surfaces and passivated
Si(100)-(2x1). We observe dopants at different depths and see a strong
dependence of the signature on the magnitude of the sample voltage. Our results
suggest that, on this clean surface, the antibonding surface state band acts as
an extension of the bulk conduction band into the gap. The positively charged
dimer vacancies that have been observed previously appear as depressions in the
filled states, as opposed to enhancements, because they disrupt these surface
bands.Comment: 4 pages, 3 figures. TeX for OSX from Wierde
Systematic vertex corrections through iterative solution of Hedin's equations beyond the it GW approximation
We present a general procedure for obtaining progressively more accurate functional expressions for the electron self-energy by iterative solution of Hedin's coupled equations. The iterative process starting from Hartree theory, which gives rise to the GW approximation, is continued further, and an explicit formula for the vertex function from the second full cycle is given. Calculated excitation energies for a Hubbard Hamiltonian demonstrate the convergence of the iterative process and provide further strong justification for the GW approximation
Spectral Function in Mott Insulating Surfaces
We show theoretically the fingerprints of short-range spiral magnetic
correlations in the photoemission spectra of the Mott insulating ground states
realized in the triangular silicon surfaces K/Si(111)-B and SiC(0001). The
calculated spectra present low energy features of magnetic origin with a
reduced dispersion ~10-40 meV compared with the center-of-mass spectra
bandwidth ~0.2-0:3 eV. Remarkably, we find that the quasiparticle signal
survives only around the magnetic Goldstone modes. Our findings would position
these silicon surfaces as new candidates to investigate non-conventional
quasiparticle excitations.Comment: 5 pages, 4 figures. To be published in Journal of Physics: Condensed
Matte
Thirty Years Of Wetland Conservation In Montana
In 1985 the Montana Legislature authorized the Department of Fish, Wildlife and Parks (FWP) to use funds from migratory bird hunting licenses “…for the protection, conservation, and development of wetlands in Montana”, thereby creating the Migratory Bird Wetland Program (a.k.a. State Duck Stamp Program). Wetlands and their associated uplands provide critical nesting, foraging, brood-rearing, and migration habitat for waterfowl and other wetland-associated wildlife. Wetlands also provide critical ecosystem functions important for our communities and wildlife, including water purification, flood control, and groundwater recharge. FWP’s Migratory Bird Wetland Program is dedicated to conserving wetlands and associated uplands to benefit Montana’s wildlife, especially migratory birds, to enhance consumptive and non-consumptive recreational opportunities, and to maintain wetland systems for Montana’s citizens. Since many of the opportunities were on private land, it was essential for FWP personnel to learn how best to work with farmers and ranchers to benefit their operations as well as wildlife and wetland values. In addition to the partnership of private landowners, many other agencies and organizations have been partners in habitat projects. The program has adapted to changing opportunities and conservation needs over time. We will chronicle the past 30 years of program implementation, showcase successes, and discuss a philosophy for continued wetland conservation into the future
Strontium Isotope Zoning in Garnet: Implications for Metamorphic Matrix Equilibration, Geochronology and Phase Equilibrium Modelling
In principle, garnet growth rates may be calculated from 87Rb/86Sr and 87Sr/86Sr measurements in garnet subsamples and the surrounding rock matrix. Because of low Rb/Sr, garnet should passively record the matrix decay of 87Rb to 87Sr as a progressive increase in 87Sr/86Sr from core to rim. This concept was tested by collecting Rb-Sr data for five garnet grains from four major orogenic belts: eastern Vermont (c. 380 Ma), western New Hampshire (c. 320 Ma), southern Chile (c. 75 Ma) and northwestern Italy (c. 35 Ma). Both normal Sr isotope zoning (increasing 87Sr/86Sr from core to rim) and inverse Sr zoning (decreasing 87Sr/86Sr from core to rim) were observed. Garnet and matrix isotope data commonly yielded grossly inaccurate model ages. Incomplete Rb and Sr equilibration among matrix minerals is invoked to explain the deviations between theoretical v. measured zoning patterns and the age disparities. Initially, the reactive matrix is dominated by rapidly equilibrating Rb-rich mica, which imparts high 87Sr/86Sr values in garnet cores. Progressive participation of slower equilibrating Sr-rich plagioclase buffers or even reduces 87Sr/86Sr, possibly leading to flat or decreasing 87Sr/86Sr from garnet cores to rims. Unusually high 87Sr/86Sr in garnet in combination with bulk matrix compositions causes erroneously young apparent ages, so metamorphic ages, growth rates, and associated heating and loading rates are likely suspect. Although Rb-Sr may be the most susceptible because of the profound disparities between mica and feldspar, zircon reactivity might influence the Lu-Hf system by up to a few per cent. The Sm-Nd system seems generally immune to these effects. Pseudosection analysis and conventional garnet geochronology, which presume complete matrix equilibration during metamorphism, may require modification to account for differences between whole-rock v. reactive matrix compositions
Violation of particle number conservation in the it GW approximation
We present a nontrivial model system of interacting electrons that can be solved analytically in the GW approximation. We obtain the particle number from the GW Green's function strictly analytically, and prove that there is a genuine violation of particle number conservation if the self-energy is calculated non-self-consistently from a zeroth order Green's function, as done in virtually all practical implementations. We also show that a simple shift of the self-energy that partially restores self-consistency reduces the numerical deviation significantly
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