
Spectroscopy and the Quantum Description of Matter FYST20, Spring Term 2009
Welcome to the spring term 2009 homepage of the "Spectroscopy and the Quantum Description of Matter" course. We will start the course with a start meeting on 20th January 2009, 15.15, in H322 at the Department of Physics.
The course is intended to show you how one can use spectroscopy methods to gain a quantum mechanical understanding of the properties of different forms of matter.
Therefore we will study both certain aspects of the quantum mechanical description of matter as well as different spectroscopy methods.
Teachers
Joachim Schnadt, joachim.schnadt@sljus.lu.se, phone: 046  2220469
Denis Céolin, denis.ceolin@sljus.lu.se, phone: 046  2220469
Joakim Laksman, joakim.laksman@sljus.lu.se, phone: 046  2224126
Schedule
A schedule is available from here. To some extent we will be able to modify it according to the students' needs  we will discuss possible changes during the start meeting.
Form of teaching
Lectures: The teacher will typically give a rather brief presentation and then we will discuss both in smaller groups and with the entire course. This requires that you read the material, which is handed out during the preceding lecture, prior to the meeting.
Questions: At each meeting a couple of short questions will be given on the reading material for the following lecture. It is compulsory to hand in (short) written answers.
Handin problems: During the course you will receive three exercise sheets with problems to be solved. The solutions should be handed in by the dates indicated in the schedule.
Project on the valence and core electronic structure of molecules: Calculation exercise to be solved in MATlab. Written report.
Project: You should investigate a particular subject with the realm of modern spectroscopy. You may choose a subject by yourself, but this has to be agreed upon by the teachers. Alternatively, you choose a subject from a list provided by the teachers. The list from last year is reproduced below. In the course of the project you are responsible for finding suitable material by yourself, although you will be provided with a starting point. You should go through the material and try to understand it, in order to then prepare a written report as well as an oral presentation to be given in front of your fellow students.
Examination
Handin problems (25% of the final grade).
Report on the project on the valence and core electronic structure of molecules (25% of the final grade).
Written report and oral presentation of the project (one project per participant) (together 50% of the final grade). Each report is examined by one of the other course participants, who also should "oppose" during/after the oral presentation.
Handing in the questions provided each lecture is compulsory and thus a part of the examination. Active participation is compulsory, as well.
Marks
ECTS grading:
A  90% to 100% (Väl godkänt)
B  80% to 89.99% (Väl godkänt)
C  70% to 79.99% (Godkänt)
D  60% to 69.99% (Godkänt)
E  50% to 59.99% (Godkänt)
F (fail)  below 50% (Underkänt)
Course material
Files and links
Compulsory reading

Compendium on quantum description
on the interaction of radiation with matter
 J. M. Hollas: Modern Spectroscopy, John Wiley & Sons, Chichester, 2004, pp 199200
 H. Haken and H. C. Wolf: The Physics of Atoms and Quanta, Sixth Edition, Springer, Berlin, 2000, section 19.4
 A. Groß: Theoretical Surface Science, Springer, Berlin, 2003, section 3.3
 Instruction compendium for the calculation project

Reinhold Fink's compendium on the chemical bond

Compendium on symmetry
 S. Hüfner: Photoelectron Spectroscopy, 2nd Edition, Springer, Berlin, 1996, pp. 1617, 297303, section 2.1.2
 D. P. Woodruff and T. A. Delchar: Modern Techniques of Surface Science, 2nd Edition,
Cambridge University Press, Cambridge, 1994, pp. 212  228
 J. W. Cooper, Phys. Rev. 128 (1962) 681
 R. Manne and T. Åberg, Chem. Phys. Lett. 7 (1970) 282
 G. Hähner, Chem. Soc. Rev. 35 (2006) 1244
Additional Reading
Exercises
Projects
Meetings and instructions
Start meeting, Tuesday, 20th January 2009
Here is a link to the questions from the first meeting: Question sheet
Please start reading the compendium on the interaction of
matter with light. You don't have to read all of it until Thursday, but it would be good if you got started. Some of you might not be used
to the formalism, which employs notation and terms from special relativity, quantum mechanics, and analytical mechanics. In this case you shouldn't be worried; things will become considerably easier and less theoretical. View it as a chance of catching a glimpse of the theoretical foundations of spectroscopy.
Thursday, 22nd January 2009
We started with looking at the interaction of matter with light.
Tuesday, 27th January 2009
We continued with discussing the interaction of matter with light with the help of the discussion questions sheet. Our particular focus was the dipole approximation, Fermi's Golden rule, and the KramersHeisenberg formula.
Thursday, 29th January 2009
We will finish the discussion of the theoretical background on the interaction of light and matter. We'll then start with discussing two
methods for quantum mechanical calculations, namely the HartreeFock and Density functional theory (DFT) methods. Reading: a short excerpt
from J. M. Hollas: Modern Spectroscopy, pp 199200, who nicely introduces the idea of the HartreeFock method; the section on the
Hartree and HartreeFock methods in Haken & Wolf: The Physics of Atoms and Quanta, section 19.4; and the section on DFT in A. Groß: Theoretical Surface Science, section 3.3. Reading instructions can be found here,
and here is a link with our discussion questions.
Joakim will furthermore give an introduction on XPS and the "calculation project".
The data for the project is found here:
Argon, 3p spectrum
Carbon monoxide, C 1s spectrum
Carbon monoxide, valence spectrum
Tuesday, 3rd February 2009
We'll finish off our discussion of the HartreeFock and DFT methods, and then it's time to go over to molecules. Please start reading the
compendium by Reinhold Fink on the chemical bond.
Thursday, 5th February 2009, Tuesday, 10th February 2009
We'll have a look at the chemical bond as well as
the topic of molecular symmetry. Then we'll get started
with photoelectron spectrocopy.
Thursday, 12th February 2009, Tuesday, 17th February 2009, Thursday, 19th February, H322
The topic of the two meetings is photoelectron spectroscopy  or rather various aspects relevant to photoelectron
spectroscopy.
The questions for our discussion as well as reading instructions are provided on the
Discussion questions sheet.
Please read the following prior to the meeting:
 J. W. Cooper,
Phys. Rev. 128 (1962) 681,
 S. Hüfner: Photoelectron Spectroscopy, 2nd Edition, Springer, Berlin, 1996, pages 1617,
 R. Manne and T. Åberg,
Chem. Phys. Lett. 7 (1970) 282,
 S. Hüfner, section 2.1.2.
In addition, we'll also have a look at possible examination projects.
You also may choose a different subject, but you have to consult me before starting.
We'll then discuss how to write a report and prepare and give a presentation
by analysing the paper by H. W. Kroto, J. R. Heath, S. C. O'Brien, R. F. Curl, and R. E. Smalley
on the discovery of the Buckminster Fullerene C_{60}, which you can
find here:
Nature 318 (1985) 162. We will then go through our
requirements
on your report and presentation. Some useful reading is listed
here.
Projects
Here is a list of your projects:
 Tobias: Inverse photoemission spectroscopy
 Matthias: Energy loss spectroscopy
 Nico: Resonant methods in photoelectron spectroscopy
 Paul: Anleresolved photoemission spectroscopy
 Linus: Femtosecond spectroscopy
 Fabian: Hydrogen bonding and electron spectroscopy
 Florian: Infrared spectroscopy
 Rahele: Theoretical description of STM and STS
 Anna: Spectroscopy on C_{60} and other fullerenes
 Jörg: PEEM and LEEM
 Martin: Resonant inelastic xray scattering on gas phase molecules
 Christian: Electronelectron coincidence spectroscopy
Those of you who are not listed contact me as soon as possible for deciding about a project.
If you have problems in finding the "starting literature" contact me  I have some of it in my office.
Tuesday, 24th February 2009, Thursday, 26th February 2009, H322
Now we'll get started with angleresolved photoemission spectroscopy.
Please find the reading instructions here.
The instructions refer to
 C. Kittel: Introduction to Solid State Physics, 7th Edition, John Wiley & Sons, New York, 1996 (for
your reference),
 S. Hüfner: Photoelectron Spectroscopy, 2nd Edition, Springer, Berlin, 1996, pp. 297303 and,
if you have time, section 7.4.1,
 D. P. Woodruff and T. A. Delchar: Modern Techniques of Surface Science, 2nd Edition,
Cambridge University Press, Cambridge, 1994.
The questions for discussion are found here.
Measurements at MAXlab
Here are the spectra and exercise for group 1:
ecj0584.txt
ecj0585.txt
ecj0586.txt
ecj0588.txt
ecj0591.txt
Exercise
And here are the spectra and exercise for group 2:
ecj0767.txt
ecj0768.txt
ecj0769.txt
ecj0771.txt
ecj0772.txt
Exercise
Here are two links to XPS binding energies on the internet:
Nanoscience at the University of Nottingham
National Institute of Standards and Technology
Tuesday, 3rd March 2009, Thursday, 5th March 2009, H322
The idea is to talk about xray absorption spectroscopy. Please read
Georg Hähner's review article on XAS prior to our meeting. As usual, we'll then discuss the questions
on the discussion question sheet.
Tuesday, 10th March 2009, Thursday, 12th March 2009, H322
The topic is Scanning tunnelling microscopy. You can find my powerpoint presentation
here. I'll present the theory of STM
with the help of the whiteboard, a copy of my notes is here.
These notes are primarily based on an article by
A. D. Gottlieb and L. Wesoloski in Nanotechnology (I don't agree with all their arguments, but with
most of them).
Project and questioner list
Here is the project list again, this time with the questioners. Please send a first version of the report to the questioner
as soon as possible; please do also send the final version once it's finished.
 Tobias: Inverse photoemission spectroscopy, questioner: Christian
 Matthias: Energy loss spectroscopy, questioner: Anna
 Nico: Resonant methods in photoelectron spectroscopy, questioner: Rahele
 Paul: Anleresolved photoemission spectroscopy, questioner: Martin
 Linus: Femtosecond spectroscopy, questioner: Paul
 Fabian: Hydrogen bonding and electron spectroscopy, questioner: Jörg
 Florian: Infrared spectroscopy, questioner: Tobias
 Rahele: Theoretical description of STM and STS, questioner: Johannes
 Anna: Spectroscopy on C_{60} and other fullerenes, questioner: Nico
 Jörg: PEEM and LEEM, questioner: Linus
 Martin: Resonant inelastic xray scattering on gas phase molecules, questioner: Matthias
 Christian: Electronelectron coincidence spectroscopy, questioner: Fabian
 Johannes: Fermi surfaces and ARUPS, questioner: Florian
Presentation time table
Now here comes the time table for your presentations:
Wednesday, 25 March
13.15 Tobias
13.45 Matthias
14.15 Nico
14.45 Fabian
15.15 Florian
15.45 Jörg
16.15 Christian
Thursday, 26 March
15.15 Rahele
15.45 Anna
16.15 Johannes
16.45 Martin
17.15 Linus
As you see, I have reserved half an hour for each of you, but I suspect that it won't take longer
than 20 to 25 min per person. Thus the indicated times are tentative.
In this way we'll also be able to have some breaks.
You are supposed to be present at all presentations.
Kursen ges av Avdelningen för synkrotronljusfysik.
Adress: Sölvegatan 14, S223 62 Lund, Sweden
Telefon: +46 (0)46222 00 00, Fax: +46 (0)46222 42 21
Kursansvarig: Joachim Schnadt
Senaste uppdatering: 090323
