4 papers
Implementation of rotational invariance for first-principles phonons and application to low-dimensional materials
Benoit Van Troeye, Xavier Gonze, Geoffrey Pourtois
The acoustic flexural (phonon) modes of low-dimensional materials should show a quadratic dispersion close to the Brillouin zone center. Any departure from this behavior in Density…
Optical-like interference control polar-phonons dispersions in 2D materials
Benoit Van Troeye, Geoffrey Pourtois
It has been argued that the polar phonon modes of two-dimensional (2D) materials should show a linear dependence close to the Brillouin zone center due to the reduced problem dimen…
Exploring binary intermetallics for advanced interconnect applications using ab initio simulations
Kiroubanand Sankaran, Kristof Moors, Jean-Philippe Soulié +2
The challenge of increasing copper (Cu) resistivity with diminishing Cu interconnect dimensions in complementary metal-oxide-semiconductor (CMOS) transistors, along with the impera…
CuAl films as Alternatives to Copper for Advanced Interconnect Metallization
Jean-Philippe Soulié, Kiroubanand Sankaran, Geoffrey Pourtois +3
CuAl thin films with have been studied as potential alternatives for the metallization of advanced interconnects. First-principles simulations were…