Proton-irradiation-immune electronics implemented with two-dimensional charge-density-wave devices.

We demonstrate that charge-density-wave devices with quasi-two-dimensional 1T-TaS2 channels show remarkable immunity to bombardment with 1.8 MeV protons to a fluence of at least 1014 H+cm-2. The current-voltage characteristics of these devices do not change as a result of proton irradiation, in striking contrast to most conventional semiconductor devices or other two-dimensional devices. Only negligible changes are found in the low-frequency noise spectra. The radiation immunity of these "all-metallic" charge-density-wave devices is attributed to the quasi-2D nature of the electron transport in the nanoscale-thickness channel, high concentration of charge carriers in the utilized charge-density-wave phases, and two-dimensional device design. Such devices, capable of operating over a wide temperature range, can constitute a crucial segment of future electronics for space, particle accelerator and other radiation environments.

Disorder-recrystallization effects in low-energy beam-solid interactions.

It is widely believed that high-kinetic-energy (>1 keV) recoils in crystalline Si result in the formation of amorphous regions, whereas low-kinetic-energy recoils lead directly to isolated point defects. Here we study the response of a Si crystal using dynamical density-functional calculations and show that recoils of much less than 1 keV result in highly disordered regions that persist for hundreds of femtoseconds. Therefore, beam-induced defect formation is controlled by recrystallization processes during dynamic annealing even following low-energy ion implantation.

Reactions of water molecules in silica-based network glasses.

Given that H(2)O dissolves minimally in quartz, the mechanism for the ubiquitous dissolution of H(2)O in silica glasses has been a long-standing puzzle. We report first-principles calculations in prototype silica glass networks and identify the ring topologies that allow the exothermic dissolution of H(2)O as geminate Si-O-H groups. The topological constraints of these reactions explain both the observed saturation of Si-O-H concentrations and the observed increase in the average Si-Si distance. In addition, calculations of H(2)O and Si-O-H dissociation account for the observed response to radiation by wet thermally grown SiO(2).

Structure, properties, and dynamics of oxygen vacancies in amorphous SiO2.

Oxygen vacancies in SiO2 have long been regarded as bistable, forming a Si-Si dimer when neutral and a puckered configuration when positively charged. We report first-principles calculations of O vacancies in amorphous SiO2 supercells that unveil significantly more complex behavior. We find that the vast majority of O vacancies do not pucker after capture of a hole, but are shallow traps. The remaining vacancies exhibit two distinct types of puckering. Upon capturing an electron, one type forms a metastable dipole, while the other collapses to a dimer. A statistical distribution of O vacancies is obtained, and the implications for charge transport and trapping in SiO2 are discussed.

Defect generation by hydrogen at the Si- SiO(2) interface.

Hydrogen is known to passivate Si dangling bonds at the Si-SiO(2) interface, but the subsequent arrival of H(+) at the interface causes depassivation of Si-H bonds. Here we report first-principles density functional calculations, showing that, contrary to conventional assumptions, depassivation is not a two-step process, namely, neutralization of H(+) by a Si electron and subsequent formation of an H(2) molecule. Instead, we establish that H(+) is the only stable charge state at the interface and that H(+) reacts directly with Si-H, forming an H(2) molecule and a positively charged dangling bond (P(b) center). As a result, H-induced interface-trap formation does not depend on the availability of Si electrons.