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cond-mat.mtrl-sci2021
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…
cond-mat.mtrl-sci2020
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…
cond-mat.mtrl-sci2018
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…