Molecular Electronics Theory
Course content
The chemistry and physics of molecular transport junctions is introduced with an emphasis on molecular structure, bonding, and electrostatics. The two transport regimes, coherent and incoherent, are defined. Focus is on the coherent transport regime and the Landauer equation, which describes coherent current through a junction. Vibrational effects, and other physics beyond the Landauer equation such as switching and the Kondo resonance are discussed briefly. Marcus electron transfer theory is discussed and contrasted with electron transmission.
A detailed derivation of the Landauer equation is given, with an emphasis on physical assumptions. To do this, non-equilibrium Green’s functions and the Keldysh contour in the complex time plane are introduced.
MSc Programme in Nanoscience
After this course you can
- predict electronic coupling through a molecule based on its structure.
- define Hamiltonians and spectral functions of a molecular transport junction based on its geometry.
- calculate the transmission function of a molecular transport junction.
- connect electronic coupling through a molecule to the features of its transmission function.
- design molecular transport junctions with desired transport properties.
- compare electron transfer to electron transmission.
[- derive dynamic expectation values of quantum mechanical observables using non- equilibrium Green’s functions.]
Lectures, exercises, computer exercises and mini project
Academic qualifications equivalent to a BSc degree is recommended.
- ECTS
- 7,5 ECTS
- Type of assessment
-
Oral examination, 30 min (no preparation time)Mandatory in-class presentation and written report.
- Aid
- All aids allowed
- Marking scale
- passed/not passed
- Censorship form
- No external censorship
several internal examiners
Criteria for exam assessment
See the course description
Single subject courses (day)
- Category
- Hours
- Lectures
- 42
- Preparation
- 107,5
- Theory exercises
- 28
- Practical exercises
- 28
- Exam
- 0,5
- English
- 206,0
Kursusinformation
- Language
- English
- Course number
- NKEK13019U
- ECTS
- 7,5 ECTS
- Programme level
- Full Degree Master
- Duration
-
1 block
- Schedulegroup
-
C
- Capacity
- No admission restrictions
- Studyboard
- Study Board of Physics, Chemistry and Nanoscience
Contracting department
- Department of Chemistry
Contracting faculty
- Faculty of Science
Course Coordinator
- Gemma C. Solomon (8-6e7a767376747675476a6f6c7435727c356b72)
Teacher
Gemma C. Solomon, Thorsten Hansen
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