Updates to publications and links
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absorption spectrum which has a pronounced collection of
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strength in the region of the Mie plasmon. TDLDA driven with
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small amplitude excitations allows to explore the optical
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response [<a href="../literatur.html#own1155">9</a>]. The
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response [<a href="../publications.html#Cal97">Cal97</a>]. The
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figure beneath shows results for Na<sub>8</sub><sup>+</sup> as
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example (taken from [<a href="../literatur.html#own1315"><font
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color="red">???</font></a>])
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example (taken from [<a href="../publications.html#Leg06">Leg06</a>])
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in comparison to experiment (upper panel) and CI calculations
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(<font color="red"><b>???</b></font>)(second from above). The
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(second from above). The
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overall position of the peak strength is nicely reproduced by
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all methods, even by the semiclassical approach. CI produces
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the most detailed spectrum. The green bars show the discrete
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@ -86,10 +85,10 @@
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Laser induced direct photo-emission of electrons allows to
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conclude on the clusters single-electron states by measuring
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the photo-electron spectra (PES). TDLDA with appropriate
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self-interaction correction (SIC) [<a href="../literatur.html#own1252">277</a>]
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allows to simulate that process in detail [<a href="../literatur.html#own1227">251</a>]
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self-interaction correction (SIC) [<a href="../publications.html#Leg02">Leg02</a>]
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allows to simulate that process in detail [<a href="../publications.html#Poh00">Poh00</a>]
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. The figure to the left shows two examples for two clusters
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which are nearly spherical (taken from [<a href="../literatur.html#own1285">304</a>]).
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which are nearly spherical (taken from [<a href="../publications.html#Poh03">Poh03</a>]).
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The arrows indicate the level classification according to
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principal quantum number and angular momentum. The PES depend,
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of course, on the direction of emission (checked here are the
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@ -112,7 +111,7 @@
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allows an enormous manifold of P&P scenarios. The figure
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to the right sketches a simple and robust scenario for a
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nearly spherical cluster, actually Na<sub>41</sub><sup>+</sup>
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[<a href="../literatur.html#own1246">290</a>]. The idea is to
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[<a href="../publications.html#And02">And02</a>]. The idea is to
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map the radius vibrations of the cluster by an off-resonant
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laser pulse. The pump pulse ionizes the Na<sub>41</sub><sup>+</sup>
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within 50 fs by three more charge units, see second panel from
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@ -60,7 +60,7 @@
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<img src="figs/MD_fig5.gif" width="300" align="right" /> The
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figure to the right shows the result of a molecular dynamics
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simulation of electronic and ionic dynamics of Na<sub>41</sub><sup>+</sup>
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under the influence of strong laser fields [<a href="../literatur.html#own1308">332</a>].
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under the influence of strong laser fields [<a href="../publications.html#Bel06">Bel06</a>].
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Ionization
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is drawn as function of laser intensity. One sees a sharp kink
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at a critical intensity of I = 10<sup>16</sup> W/cm<sup>2</sup>.
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<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="content-type" content="application/xhtml+xml; charset=iso-8859-1" />
<title>Theory of Cluster Dynamics</title>
<link href="../style.css" rel="stylesheet" type="text/css" />
</head>
<body>
<div id="container">
<div id="header">
<div id="menu">
<div id="navMenu">
<ul>
<li style="margin-top:1px;border-top:1px solid #B0C4DE; "><a href="../index.html">Home</a></li>
<li><a href="../intro.html">Introductory Overview</a></li>
<li><a href="../research.html">Scientific Information</a></li>
<li><a href="../staff.html">Staff</a></li>
<li><a href="../publications.html">Publications/Talks</a></li>
<li><a href="../contact.html">Contact</a></li>
</ul>
</div>
</div>
<div id="image">
<p><font size="6" color="white"><b>Theory of Cluster Dynamics</b></font><font
size="5"><br />
</font><font size="6"> </font><font size="5">The Toulouse -
Erlangen Collaboration</font></p>
</div>
<a name="oben"> </a>
<div id="content"><a name="oben"> </a>
<div style="margin:15px;width:770px;border:1px solid gray;float:left;font-size:10px;"><a
name="oben">
</a>
<div style="width:180px;float:left;text-align:center;font-size:10px"><a
name="oben">
</a><a href="formal.html">1. Theoretical developments </a> </div>
<div style="width:200px;float:left;text-align:center;font-size:10px;">
<a href="../analysis/detail1.html"> 2. Analysis of cluster
dynamics </a> </div>
<div style="width:200px;float:left;text-align:center;font-weight:900;font-size:10px;">
<a href="../analysis/detail2.html"> 3. Clusters in strong external
fields </a> </div>
<div style="width:180px;float:left;text-align:center;font-weight:900;font-size:12px;">
<a href="detailQMMM.html"> 4. Embedded clusters </a> </div>
</div>
<div id="WideContent">
<div id="contentBoxWide">
<div id="contentBoxHeader">
<p> Clusters in contact with a polarizable environment</p>
</div>
<div id="contentBoxContent">
<!-- START CONTENT HERE --> <br />
<p><img src="figs/na8_nacl_SHG.gif" width="300" align="right" />
Many experiments are done for clusters in contact with a
substrate. The strong interface interaction modifies the
cluster and theoretical simulations become more involved.
However, some features can only be explored in connection with
a substrate. E.g., the symmetry breaking through a surface
gives access to second-harmonic generation (SHG). <br />
<br />
The figure beneath shows the results from a TDLDA simulation
of SHG for Na<sub>8</sub> attached to a NaCl surface [<a href="../literatur.html#own1224">248</a>].
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<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml">
<head>
<meta http-equiv="content-type" content="application/xhtml+xml; charset=iso-8859-1" />
<title>Theory of Cluster Dynamics</title>
<link href="../style.css" rel="stylesheet" type="text/css" />
</head>
<body>
<div id="container">
<div id="header">
<div id="menu">
<div id="navMenu">
<ul>
<li style="margin-top:1px;border-top:1px solid #B0C4DE; "><a href="../index.html">Home</a></li>
<li><a href="../intro.html">Introductory Overview</a></li>
<li><a href="../research.html">Scientific Information</a></li>
<li><a href="../staff.html">Staff</a></li>
<li><a href="../publications.html">Publications/Talks</a></li>
<li><a href="../contact.html">Contact</a></li>
</ul>
</div>
</div>
<div id="image">
<p><font size="6" color="white"><b>Theory of Cluster Dynamics</b></font><font
size="5"><br />
</font><font size="6"> </font><font size="5">The Toulouse -
Erlangen Collaboration</font></p>
</div>
<a name="oben"> </a>
<div id="content"><a name="oben"> </a>
<div style="margin:15px;width:770px;border:1px solid gray;float:left;font-size:10px;"><a
name="oben">
</a>
<div style="width:180px;float:left;text-align:center;font-size:10px"><a
name="oben">
</a><a href="formal.html">1. Theoretical developments </a> </div>
<div style="width:200px;float:left;text-align:center;font-size:10px;">
<a href="../analysis/detail1.html"> 2. Analysis of cluster
dynamics </a> </div>
<div style="width:200px;float:left;text-align:center;font-weight:900;font-size:10px;">
<a href="../analysis/detail2.html"> 3. Clusters in strong external
fields </a> </div>
<div style="width:180px;float:left;text-align:center;font-weight:900;font-size:12px;">
<a href="detailQMMM.html"> 4. Embedded clusters </a> </div>
</div>
<div id="WideContent">
<div id="contentBoxWide">
<div id="contentBoxHeader">
<p> Clusters in contact with a polarizable environment</p>
</div>
<div id="contentBoxContent">
<!-- START CONTENT HERE --> <br />
<p><img src="figs/na8_nacl_SHG.gif" width="300" align="right" />
Many experiments are done for clusters in contact with a
substrate. The strong interface interaction modifies the
cluster and theoretical simulations become more involved.
However, some features can only be explored in connection with
a substrate. E.g., the symmetry breaking through a surface
gives access to second-harmonic generation (SHG). <br />
<br />
The figure beneath shows the results from a TDLDA simulation
of SHG for Na<sub>8</sub> attached to a NaCl surface [<a href="../publications.html#Koh00">Koh00</a>].
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The spectra resulting from irradiation with a 1.4 eV pulse
shows nicely the peaks at multiple frequencies. The SHG signal
can be enhanced by increasing the laser intensity. This,
however, breaks down at some point where the signals are
substantially broadened. This is caused by a large ionization
which spoils the otherwise clean dipole response of metal
clusters. </p>
<br />
<br />
<p> <img src="figs/na6_ar384d_deposit.gif" width="300" align="left" />TDLDA
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coupled
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with molecular dynamics (MD) for ionic motion is a very
powerfull tool to describe cluster dynamics. One application
is cluster deposition which is illustrated in the figure on
the left. It shows Na<sub>6</sub> impinging on an Ar surface
(see [<a href="../literatur.html#own1303">328</a>] for further
details). The substrate consists of six layers of Ar taken
from an appropriate cut of the Ar fcc structure. The Na<sub>6</sub>
cluster consist in a ring of 5 ions topped by one ion on the
symmetry axix. The Na<sub>6</sub> approaches the surface with
the symmetry axis in <i>z</i> direction (=perpendicular) and
the top ion facing away from the surface. <br />
<br />
The upper panel shows the evolution of the <i>z</i>
coordinates, Na ions in red and Ar atoms in green. The cluster
is immediately stopped by the surface. A large fraction of
impact momentum is transferred at once to the substrate and
propagates with velocity of light through the layers. The
large dissipation through energy transfer and intrinsic
cluster excitation leads to catching of the cluster by the
subtrate. The kinetic energies in the lower panel confirm the
dramatic and very fast energy exchange at the moment of first
impact. Another fraction of energy, not shown in the figure,
is turned into the large shape changes. </p>
<br />
<br />
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<table width="70%">
<tbody>
<tr>
<td align="right"> <a href="#top">Back to top </a> </td>
</tr>
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</body>
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with molecular dynamics (MD) for ionic motion is a very
powerfull tool to describe cluster dynamics. One application
is cluster deposition which is illustrated in the figure on
the left. It shows Na<sub>6</sub> impinging on an Ar surface
(see [<a href="../publications.html#Feh06">Feh06</a>] for further
details). The substrate consists of six layers of Ar taken
from an appropriate cut of the Ar fcc structure. The Na<sub>6</sub>
cluster consist in a ring of 5 ions topped by one ion on the
symmetry axix. The Na<sub>6</sub> approaches the surface with
the symmetry axis in <i>z</i> direction (=perpendicular) and
the top ion facing away from the surface. <br />
<br />
The upper panel shows the evolution of the <i>z</i>
coordinates, Na ions in red and Ar atoms in green. The cluster
is immediately stopped by the surface. A large fraction of
impact momentum is transferred at once to the substrate and
propagates with velocity of light through the layers. The
large dissipation through energy transfer and intrinsic
cluster excitation leads to catching of the cluster by the
subtrate. The kinetic energies in the lower panel confirm the
dramatic and very fast energy exchange at the moment of first
impact. Another fraction of energy, not shown in the figure,
is turned into the large shape changes. </p>
<br />
<br />
<center>
<table width="70%">
<tbody>
<tr>
<td align="right"> <a href="#top">Back to top </a> </td>
</tr>
</tbody>
</table>
</center>
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