5 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…
Selecting Alternative Metals for Advanced Interconnects
Jean-Philippe Soulié, Kiroubanand Sankaran, Benoit Van Troeye +14
Interconnect resistance and reliability have emerged as critical factors limiting the performance of advanced CMOS circuits. With the slowdown of transistor scaling, interconnect s…
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…