4 papers · 1 filter
Competition between local magnetic disorder and altermagnetism in doped FeSb
Enrico Di Lucente, Michele Simoncelli
Recent experimental reports suggest that the narrow-gap nonmagnetic semiconductor FeSb can be transformed into an altermagnetic metal through Co doping (CoFeS…
Phonon collisional broadening and heat transport beyond the Boltzmann equation
Enrico Di Lucente, Nicola Marzari, Michele Simoncelli
In crystals, macroscopic technological properties such as thermal conductivity originate from the microscopic drift and scattering of phonons, commonly described by the Boltzmann T…
Spin fluctuations steer the electronic behavior in the FeSb skutterudite
Enrico Di Lucente, Flaviano José dos Santos, Nicola Marzari
Skutterudites are promising materials for thermoelectric and spintronics applications. Here we explore spin fluctuations in the FeSb skutterudite and their effect on its elec…
The thermodynamics of CaSiO3 in Earth's lower mantle
Yongjoong Shin, Enrico Di Lucente, Nicola Marzari +1
The lower mantle of Earth, characterized by pressures of 24-127 GPa and temperatures of 1900-2600 K, is still inaccessible to direct observations. In this work, we investigate by f…