Ab initio perspective of ultra-scaled CMOS from 2D-material fundamentals to dynamically doped transistors

Nature of charge transport and p-electron ferromagnetism in nitrogen-doped ZrO2: An ab initio perspective

Zirconium dioxide provides an exceptional prototype material for studying the redistribution of the polaron holes and its magnetic coupling with their nearby anions owning to the difference oxygen binding behavior in the monoclinic phase. Here, we perform a comprehensive study of the p-electron magnetism in the nitrogen doped 2 × 2 × 2 monoclinic ZrO2 based on spin-polarized density functional ...

Ab Initio Study of Pr Oxides for CMOS Technology

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Enhanced amorphous stability of carbon-doped Ge2Sb2Te5: Ab Initio investigation

The effects of carbon doping on structural and electronic properties of amorphous Ge2Sb2Te5 are studied by using ab initio molecular dynamics simulations. In comparison with Si, N, and O dopants, C dopants are found to fundamentally alter the local order of amorphous network by increasing the population of tetrahedral Ge atoms significantly. In addition, the density of ABAB-type squared rings i...

Superconductivity in doped cubic silicon: an ab initio study

Dual-mode operation of 2D material-base hot electron transistors

Vertical hot electron transistors incorporating atomically-thin 2D materials, such as graphene or MoS2, in the base region have been proposed and demonstrated in the development of electronic and optoelectronic applications. To the best of our knowledge, all previous 2D material-base hot electron transistors only considered applying a positive collector-base potential (VCB > 0) as is necessary ...