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19 papers
Unraveling energy flow mechanisms in semiconductors by ultrafast spectroscopy: Germanium as a case study
Grazia Raciti, Begoña Abad, Riccardo Dettori +8
Semiconductor materials are the foundation of modern electronics, and their functionality is dictated by the interactions between fundamental excitations occurring on (sub-)picosec…
Occurrence of the collective Ziman limit of heat transport in cubic semiconductors: scattering channels and size effects
Jelena Sjakste, Maxime Markov, Raja Sen +2
In this work, we discuss the possibility of reaching the Ziman conditions for collective heat transport in cubic bulk semiconductors, such as Si, Ge, AlAs and AlP. In natural and e…
Role of Dimensionality and Size in Controlloing the Drag Seebeck Coefficient of Doped Silicon Nanostructures: A Fundamental Understanding
Raja Sen, Nathalie Vast, Jelena Sjakste
In this theoretical study, we examine the influence of dimensionality, size reduction, and heat-transport direction on the phonon-drag contribution to the Seebeck coefficient of si…
EPIq : an open-source software for the calculation of electron-phonon interaction related properties
Giovanni Marini, Guglielmo Marchese, Gianni Profeta +5
EPIq (Electron-Phonon wannier Interpolation over k and q-points) is an open-source software for the calculation of electron-phonon interaction related properties from first princip…
When carbon impurities trigger the synthesis of alpha boron at high pressure and high temperature
Amrita Chakraborti, Yeonsoo Cho, Jelena Sjakste +5
The role of carbon in the formation of alpha boron at high pressure and high temperature (HPHT) has been investigated by combining HPHT experiments and density functional theory (D…
Electron energy loss spectroscopy of bulk gold with ultrasoft pseudopotentials and the Liouville-Lanczos method
Oleksandr Motornyi, Nathalie Vast, Iurii Timrov +3
The implementation of ultrasoft pseudopotentials into time-dependent density-functional perturbation theory is detailed for both the Sternheimer approach and the Liouville-Lanczos…