activity
20012025
most citedHybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

378 citations · 1.2k across the 13 of their papers we have counts for

collaborators

13 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-sci2023★ 5 cited

Investigation and field effect tuning of thermoelectric properties of SnSe2 flakes

I. Pallecchi, F. Caglieris, M. Ceccardi +8

The family of Van der Waals dichalcogenides (VdWDs) includes a large number of compositions and phases, exhibiting varied properties and functionalities. They have opened up a nove…

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-sci2016

High field properties of typical perovskite ferroelectrics by first-principles modeling

Daniel I. Bilc, Liviu Zarbo, Sorina Garabagiu +2

Using first-principles calculations, we estimated the impact of large applied electric E fields on the structural, dielectric, and ferroelectric properties of typical ferroelectric…

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…

cond-mat.mtrl-sci2014★ 228 cited

Low-Dimensional Transport and Large Thermoelectric Power Factors in Bulk Semiconductors by Band Engineering of Highly Directional Electronic States

Daniel I. Bilc, Geoffroy Hautier, David Waroquiers +2

Thermoelectrics are promising to address energy issues but their exploitation is still hampered by low efficiencies. So far, much improvement has been achieved by reducing the ther…