1,168 research outputs found
Diffusion Monte Carlo: Exponential scaling of computational cost for large systems
The computational cost of a Monte Carlo algorithm can only be meaningfully
discussed when taking into account the magnitude of the resulting statistical
error. Aiming for a fixed error per particle, we study the scaling behavior of
the diffusion Monte Carlo method for large quantum systems. We identify the
correlation within the population of walkers as the dominant scaling factor for
large systems. While this factor is negligible for small and medium sized
systems that are typically studied, it ultimately shows exponential scaling.
The scaling factor can be estimated straightforwardly for each specific system
and we find that is typically only becomes relevant for systems containing more
than several hundred atoms.Comment: 6 pages, 3 figures, published by Phys. Rev. B (further changes
following referee's reports
Adjoint-Based Error Estimation and Mesh Adaptation for Problems with Output Constraints
Peer Reviewedhttps://deepblue.lib.umich.edu/bitstream/2027.42/140439/1/6.2014-2576.pd
Microscopic mechanism for the 1/8 magnetization plateau in SrCu_2(BO_3)_2
The frustrated quantum magnet SrCu_2(BO_3)_2 shows a remarkably rich phase
diagram in an external magnetic field including a sequence of magnetization
plateaux. The by far experimentally most studied and most prominent
magnetization plateau is the 1/8 plateau. Theoretically, one expects that this
material is well described by the Shastry-Sutherland model. But recent
microscopic calculations indicate that the 1/8 plateau is energetically not
favored. Here we report on a very simple microscopic mechanism which naturally
leads to a 1/8 plateau for realistic values of the magnetic exchange constants.
We show that the 1/8 plateau with a diamond unit cell benefits most compared to
other plateau structures from quantum fluctuations which to a large part are
induced by Dzyaloshinskii-Moriya interactions. Physically, such couplings
result in kinetic terms in an effective hardcore boson description leading to a
renormalization of the energy of the different plateaux structures which we
treat in this work on the mean-field level. The stability of the resulting
plateaux are discussed. Furthermore, our results indicate a series of stripe
structures above 1/8 and a stable magnetization plateau at 1/6. Most
qualitative aspects of our microscopic theory agree well with a recently
formulated phenomenological theory for the experimental data of SrCu_2(BO_3)_2.
Interestingly, our calculations point to a rather large ratio of the magnetic
couplings in the Shastry-Sutherland model such that non-perturbative effects
become essential for the understanding of the frustrated quantum magnet
SrCu_2(BO_3)_2.Comment: 24 pages, 24 figure
V39: an unusual object in the field of IC 1613
The variable star V39 in the field of IC 1613 is discussed in the light of
the available photometric and new spectroscopic data. It has strong emission
Balmer lines, and the observed characteristics could be explained by a W Vir
pulsating star with a period of 14.341 d, located at more than 115 kpc, that is
in the very outer halo of our Galaxy. It should have an apparent companion, a
long period (1118d) red variable, belonging to IC 1613. The main uncertainty in
this interpretation is an emission feature at 668.4 nm, which we tentatively
identified as a He I line.Comment: 5 pages; accepted for publication in Astronomy & Astrophysic
Hofstadter butterflies of carbon nanotubes: Pseudofractality of the magnetoelectronic spectrum
The electronic spectrum of a two-dimensional square lattice in a
perpendicular magnetic field has become known as the Hofstadter butterfly
[Hofstadter, Phys. Rev. B 14, 2239 (1976).]. We have calculated
quasi-one-dimensional analogs of the Hofstadter butterfly for carbon nanotubes
(CNTs). For the case of single-wall CNTs, it is straightforward to implement
magnetic fields parallel to the tube axis by means of zone folding in the
graphene reciprocal lattice. We have also studied perpendicular magnetic fields
which, in contrast to the parallel case, lead to a much richer, pseudofractal
spectrum. Moreover, we have investigated magnetic fields piercing double-wall
CNTs and found strong signatures of interwall interaction in the resulting
Hofstadter butterfly spectrum, which can be understood with the help of a
minimal model. Ubiquitous to all perpendicular magnetic field spectra is the
presence of cusp catastrophes at specific values of energy and magnetic field.
Resolving the density of states along the tube circumference allows recognition
of the snake states already predicted for nonuniform magnetic fields in the
two-dimensional electron gas. An analytic model of the magnetic spectrum of
electrons on a cylindrical surface is used to explain some of the results.Comment: 14 pages, 12 figures update to published versio
Modeling extended contacts to nanotube and graphene devices
Carrier injection into carbon nanotubes and graphene nanoribbons, contacted
by a metal coating over an arbitrary length, is studied by various means:
Minimal models allow for exact analytic solutions which can be transferred to
the original system with high precision. Microscopic ab initio calculations of
the electronic structure at the carbon-metal interface allow us to extract --
for Ti and Pd as contacting materials -- realistic parameters, which are then
used in large scale tight-binding models for transport calculations. The
results are shown to be robust against nonepitaxially grown electrodes and
general disorder at the interface, as well as various refinements of the model.Comment: 13 pages, 13 figure
Constraints on the Formation of the Globular Cluster IC 4499 from Multi-Wavelength Photometry
We present new multiband photometry for the Galactic globular cluster IC 4499
extending well past the main sequence turn-off in the U, B, V, R, I, and DDO51
bands. This photometry is used to determine that IC4499 has an age of 12 pm 1
Gyr and a cluster reddening of E(B-V) = 0.22 pm 0.02. Hence, IC 4499 is coeval
with the majority of Galactic GCs, in contrast to suggestions of a younger age.
The density profile of the cluster is observed to not flatten out to at least
r~800 arcsec, implying that either the tidal radius of this cluster is larger
than previously estimated, or that IC 4499 is surrounded by a halo. Unlike the
situation in some other, more massive, globular clusters, no anomalous color
spreads in the UV are detected among the red giant branch stars. The small
uncertainties in our photometry should allow the detection of such signatures
apparently associated with variations of light elements within the cluster,
suggesting that IC 4499 consists of a single stellar population.Comment: accepted to MNRA
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