Low-temperature lithium drift in silicon

Lithiation of silicon via lithium Zintl-defect complexes from first principles

“…A lithium-vacancy complex was assigned to an electron paramagnetic resonance (EPR) center by Goldstein 2 and lithium drift rate experiments have also shown that lithium binds to vacancies, preventing further mobility. 3 Our densityfunctional theory (DFT) calculations show that the formation of a Frenkel-type impurity defect ({Li,V ,I}) from a T d interstitial Li atom requires an energy of 3.73 eV, which is in excellent agreement with the value of 3.75 eV calculated by Wan et al 4 Wan et al suggested that the substitutional lithium defect, {Li,V } will not form due to its large formation energy. However, we calculate its formation energy from bulk silicon and lithium metal to be 3.09 eV, and hence {Li,V } is more stable than a separated vacancy and lithium interstitial ({V } and {Li}).…”

Ionization enhanced diffusion

“…We also assume that the sets of the states contributing to each charge state are disjoint and identifiable. Then we may meaningfully write for the G state, and (20) m where and Now, if charge exchange occurs much more frequently than other processes, local reaction equilibrium between G states and r states will be apprOximately observed. As a result, the transport of defect from site to site can be monitored by observing only one of the charge states, since the G and r'defects will essentially diffuse as one.…”

Production Des Défauts Par Irradiation Dans Les Semi-Conducteurs

“…16), c'est-&-dire de la concentration de paires Clectron-trou, et il est donc t r b possible qu'un mCcanisme de diffusion par ionisation soit la cause de l'apparition de defauts. D'ailleurs, des impuretCs telles que l'or semblent diffuser dans le silicium sous irradiation d'tlectrons de basse Cnergie [84] ou de rayons X [85].…”