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Nanograined half-Heusler semiconductors as advanced thermoelectrics: an ab-initio high-throughput statistical study
Jesús Carrete, Natalio Mingo, Shidong Wang +1
Nanostructuring has spurred a revival in the field of direct thermoelectric energy conversion. Nanograined materials can now be synthesized with higher figures of merit (ZT) than t…
Superdiffusive heat conduction in semiconductor alloys -- I. Theoretical foundations
Bjorn Vermeersch, Jesus Carrete, Natalio Mingo +1
Semiconductor alloys exhibit a strong dependence of effective thermal conductivity on measurement frequency. So far this quasi-ballistic behaviour has only been interpreted phenome…
Low thermal conductivity and triaxial phononic anisotropy of SnSe
Jesús Carrete, Natalio Mingo, Stefano Curtarolo
In this theoretical study, we investigate the origins of the very low thermal conductivity of tin selenide (SnSe) using ab-initio calculations. We obtained high-temperature lattice…
Complex networks analysis in socioeconomic models
Luis M. Varela, Giulia Rotundo, Marcel Ausloos +1
This chapter aims at reviewing complex networks models and methods that were either developed for or applied to socioeconomic issues, and pertinent to the theme of New Economic Geo…
Finding unprecedentedly low-thermal-conductivity half-Heusler semiconductors via high-throughput materials modeling
Jesús Carrete, Wu Li, Natalio Mingo +2
The lattice thermal conductivity (κω) is a key property for many potential applications of compounds. Discovery of materials with very low or high κω remains an experimental challe…