4 papers
Computational Materials Discovery for Lanthanide Hydrides at high pressure: predicting High Temperature superconductivity
Evgeny Plekhanov, Zelong Zhao, Francesco Macheda +3
Hydrogen-rich superhydrides are believed to be very promising high-T superconductors, with experimentally observed critical temperatures near room temperature, as shown in rece…
First-principles predictions of Hall and drift mobilities in semiconductors
Samuel Ponce, Francesco Macheda, Elena Roxana Margine +3
Significant progress on parameter-free calculations of carrier mobilities in real materials has been made during the past decade; however, the role of various approximations remain…
First-principles study of electronic transport and structural properties of CuSbS in its high-temperature phase
Cono di Paola, Francesco Macheda, Savio Laricchia +2
We present an ab initio study of the structural and electronic transport properties of tetrahedrite, CuSbS, in its high-temperature phase. We show how this comple…
Magneto-transport phenomena in p-doped diamond from first principles
Francesco Macheda, Nicola Bonini
We present a first-principles study of the magnetotransport phenomena in p-doped diamond via the exact solution of the linearized Boltzmann transport equation, in which the materia…