|
||||
|
Research InterestsOn general grounds, the main goal of my research has to do with the study of electronic properties of materials from first-principles. I am interested in materials or complex systems presenting challenging properties both from the fundamental and technological point of view. For example: - superconductors - 2D metallic states at surfaces and interfaces of oxides in the line of electronic devices - materials for energetic transition (Li batteries, CO2 convertion) - isotopic lithium separation for nuclear technology
Calculation techniques:
If the materials do not present important electronic correlations, the calculation is based on the Density Funcional Theory (DFT) using commercial programs such as Wien2k, VASP, among others. This kind of approach allows to predict and describe the ground state of a given material, that is, its electronic, magnetic and transport properties. However, if the system presents strong electronic correlations, it is mandatory to implement other techniques beyond DFT, such as the Dynamical Mean Field Theory, hybrid functionals that include some exact exchange non-local corrections, DFT+U that introduce static local correlations. The choice among these different techniques strongly depends on the particular problem.
|
||||
|
|
