91239 - Materials Spectroscopy

Learning outcomes

At the end of the course, the student has acquired the fundamentals of materials spectroscopy, quantum theory of solids, as well as spectroscopic techniques based on absorption/emission, light scattering, and magnetic properties.

Course contents

Main topics

• The crystalline state: crystalline structures, direct and reciprocal lattice.
• Linear, planar and spatial space groups.
• Quasi-crystals
• Quantum theory of solids, Bloch theorem and functions.
• Elastic and inelastic scattering of photon and mass particles.
• Reticular motions, phonons, vibrational spectroscopy. 

 Anonymous statistical survey

Once 2/3 of the lessons have been completed, a survey will be carried out to know students' opinions on the course, in order to make it more effective. Reference links:

• https://opinionistudenti.unibo.it
• https://val.unibo.it/ (student)
• https://val.unibo.it/demo.php (survey)
• https://gestioneval.unibo.it (lecturer)

Additionally, please include your personal reflections on the following points:

• Which topics did you find less engaging or relevant?
• Which aspects do you feel deserve deeper exploration?
• Were there any points that seemed unclear or required further explanation?
• What was the most valuable insight or takeaway for you?
• Do you believe any additional content should be included in the course?

Readings/Bibliography

The lecture notes distributed by the instructor through the official teaching materials platform Insegnamenti OnLine is required reading for exam preparation.

Suggestions to further explore the course content:

BOOKS

• Introduction to Solid State Physics
  C. Kittel; John Wiley & Sons, Inc.
• Solid State Physics
  Neil Ashcroft and N. David Mermin; Saunders College
• Spectra of Atoms and Molecules
  P. F. Bernath, Oxford University Press, 1995
• Handbook of Applied Solid-State Spectroscopy
  D.R.VI; Springer-Verlag, 2003
• Solid-State Physics: An Introduction to Principles of Materials Science
  H. Luth and H. Ibach; Springer-Verlag, 3rd Ed. 2003
  
• I Principi della Teoria dei Solidi
  J. M. Ziman; Tamburini Editore, 1975
• Solid-State Spectroscopy
  H. Kuzmany; Springer-Verlag, 3rd Ed. 1998
• The Physics and Chemistry of materials
  J. I. Gersten and F. W. Smith; J. Wiley and Sons, Inc. 2001, Canaa
• International Tables for Crystallography
  https://it.iucr.org
  http://www.physics.fudan.edu.cn/tps/people/jzhao/Book&Paper/ITC-Vol.C.pdf
• Group Theory - Application to the Physics of Condensed Matter
  M.S. Dresselhaus, G. Dresselhaus, A. Jorio; Springer 2008.
  https://wiki.physics.udel.edu/wiki_qttg/images/b/b5/DRESSELHAUS%3Dgroup_theory.pdf

Quantum ESPRESSO

• Quantum ESPRESSO Course for Solid-State Physics
  Nguyen Tuan Hung, Ahmad R.T. Nugraha, Riichiro Saito; Jenny Stanford Publishing, 1st Ed. 2022
  Ebook: https://dx.doi.org/10.1201/9781003290964
  Repository: https://github.com/topics/quantum-espresso?l=roff
• Official website
  https://www.quantum-espresso.org/

ONLINE TOOLS

• Bilbao Crystallographic Server
  https://www.cryst.ehu.es/

STRUCTURE DATABASES

• American Mineralogist Crystal Structure Database
  https://rruff.geo.arizona.edu/AMS/amcsd.php
• Crystallography Open Database
  https://www.crystallography.net/cod/

FREE SOFTWARE

• VESTA (Visualisation for Electronic Structural Analysis)
  https://jp-minerals.org/vesta/en/

USEFUL LINKS

• Brillouin zones
  https://en.wikipedia.org/wiki/Brillouin_zone
• Space groups
  https://en.wikipedia.org/wiki/List_of_space_groups
  Symmetry tables
  
• https://www.webqc.org/symmetry.php
  http://www.gernot-katzers-spice-pages.com/character_tables/index.html
  https://www.staff.ncl.ac.uk/j.p.goss/symmetry/index.html
  http://pd.chem.ucl.ac.uk/pdnn/symm1/symbols.htm
• Animations of vibrational modes
  https://www.crystal.unito.it/animations_vibrational_modes.html
• Fermi surfaces
  https://condensedconcepts.blogspot.com/2011/04/periodic-table-of-fermi-surfaces.html
  

Teaching methods

Lectures and computational simulations.

Health and safety training for activities carried out in computer laboratories and similar settings

Considering the types of activities involved and the teaching methods adopted, participation in this training activity requires all students—including incoming international students, such as Erasmus students—to complete the General Training Course (Module 1) and the Low-Risk Training Course (Module 2) via E-Learning, available on the following webpage: https://site.unibo.it/tutela-promozione-salute-sicurezza/en/training/students-general-and-specific-training

Equity, Inclusion and Diversity Services

• University Help Desks Against Gender-Based Violence: Safe spaces for listening and support for anyone who is experiencing, has experienced, or has witnessed situations of gender-based violence or harassment, whether inside or outside the university. You can speak with trained and experienced professionals, receive information, and discuss together what steps to take. Contacting the help desk does not automatically mean filing a formal report. https://www.unibo.it/en/university/who-we-are/equity-and-inclusion/university-helpdesk-against-gender-based-violence
• Alias Career: Recognition of self-determination through the right to adopt, within the University, a chosen name if you are undergoing gender transition or do not identify with the gender assigned to you at birth. https://www.unibo.it/en/study/enrolment-fees-and-other-procedures/degree-programmes/alias-career/alias-career-for-students-of-the-university-of-bologna
• LGBTQIA+ Anti-Discrimination Help Desk: A listening and information service aimed at preventing and addressing discrimination based on gender identity and sexual orientation. https://www.unibo.it/en/university/who-we-are/equity-and-inclusion/lgbtqia-anti-discrimination-desk
• Don't Panic: The University offers students enrolled in Bachelor’s, Master’s, PhD, and Specialization programmes many additional services, all designed to provide practical support during challenging times. https://www.unibo.it/en/study/life-at-university-and-in-the-city/dont-panic-we-are-with-you-throughout-your-academic-journey

Assessment methods

The assessment is aimed at verifying the acquisition of both the theoretical knowledge and the practical skills expected. The final grade reflects an evaluation of the content demonstrated during the exam.

The assessment is an oral exam at the end of the semester (upon request it is possible to fix a date before Christmas).

The duration of the exam is approximately 30 minutes.

The use of artificial intelligence (AI) tools is not permitted.

The exam can be passed with a minimum score of 18/30.

As a guideline, the following evaluation criteria are provided:

• Failing

  • Incomplete knowledge of the subject
  • Lack of orientation within the topics
  • Inappropriate language

• Passing

  • Minimal knowledge of the subject
  • Analytical ability emerges only with the instructor’s help
  • Barely appropriate language

• Adequate

  • Good memorized knowledge of the subject
  • Fair argumentative ability
  • Correct language

• Excellent

  • Clear understanding and mastery of the subject
  • Excellent ability to elaborate and argue
  • Specific and appropriate language

https://corsi.unibo.it/magistrale/PhotochemistryMolecularMaterials/qualita-corso/@@esami-voto-medio

Students who require compensatory tools due to temporary or permanent disabilities, or specific learning disorders (SLD) may contact the appropriate University office well in advance:

• https://site.unibo.it/studenti-con-disabilita-e-dsa/en

The office will be responsible for proposing any necessary adjustments, which must be submitted at least 15 days before the exam date for the lecturer's approval. The lecturer will assess their appropriateness in relation to the learning objectives of the course.

Teaching tools

Blackboard (lectures and exercises) and video-projector.

Computational laboratory using Linux OS.*

*Running executable files from the lab Linux command prompt

• gview
• mg16
• molden
• VESTA
• xcrysden
• pwgui
• pw.x

Sustainable Development Goals

Quality Education (4) The course develops advanced knowledge and analytical skills in solid-state physics, spectroscopy, crystallography, and computational modelling. Students acquire the ability to critically interpret experimental and simulated data, promoting scientific literacy and advanced competences in materials characterization.

Industry, Innovation and Infrastructure (9) Spectroscopic techniques and computational methods are fundamental tools for the design, characterization, and optimization of advanced materials used in technological and industrial applications. The course provides methodological foundations that support innovation in materials science and related high-technology sectors.

Responsible Consumption and Production (12) The characterization of structural, electronic and vibrational properties of materials contributes to the development of more efficient, durable, and sustainable materials. Spectroscopic analysis supports the evaluation and optimization of materials throughout their life cycle, reducing waste and resource consumption.

Office hours

See the website of Assimo Maris