activity
20162025
most citedFirst-principles Modelling of SrTiO3 based Oxides for Thermoelectric Applications

31 citations · 56 across the 6 of their papers we have counts for

collaborators

6 papers

cond-mat.mtrl-sci2025★ 3 cited

Roles of Defects and Sb-doping in the Thermoelectric Properties of Full-Heusler Fe2TiSn

Ilaria Pallecchi, Daniel I. Bilc, Marcella Pani +4

The potential of Fe2TiSn full-Heusler compounds for thermoelectric applications has been suggested theoretically, but not yet grounded experimentally, due to the difficulty of obta…

cond-mat.mtrl-sci2020★ 3 cited

Polarity-field driven conductivity in SrTiO/LaAlO: a hybrid functional study

Sébastien Lemal, Nicholas C. Bristowe, Philippe Ghosez

The origin of the 2-dimensional electron system (2DES) appearing at the (001) interface of band insulators and has been rationalized in the framework of…

cond-mat.mtrl-sci2019★ 6 cited

Magnetic instabilities in doped Fe full-Heusler thermoelectric compounds

Sébastien Lemal, Fabio Ricci, Daniel I. Bilc +2

Thermoelectricity is a promising avenue for harvesting energy but large-scale applications are still hampered by the lack of highly-efficient low-cost materials. Recently, Fe…

cond-mat.mtrl-sci2018★ 13 cited

Probing Quantum Confinement and Electronic Structure at Polar Oxide Interfaces

Danfeng Li, Sébastien Lemal, Stefano Gariglio +5

Polar discontinuities occurring at interfaces between two different materials constitute both a challenge and an opportunity in the study and application of a variety of devices. I…

cond-mat.mtrl-sci2016

Can we prevent the "dead layer" formation at manganite interfaces?

Ayşegül Begüm Koçak, Julien Varignon, Sébastien Lemal +2

The present work theoretically studies the possibility to hinder the formation of a "dead" layer at the interfaces in manganite superlattices. We showed that this goal can be reach…

cond-mat.mtrl-sci2016★ 31 cited

First-principles Modelling of SrTiO3 based Oxides for Thermoelectric Applications

Daniel I. Bilc, Calin G. Floare, Liviu P. Zarbo +3

Using first-principles electronic structure calculations, we studied the electronic and thermoelectric properties of SrTiO3 based oxide materials and their nanostructures identifyi…