Vacancy Formation Energy of Silicon Determined by a New Quenching Method

Abstract

By applying a new quenching method, we determined the formation energy of vacancies in high-purity silicon. Specimens were heated in H 2 gas at high temperatures for 1 h followed by quenching in water. By this method, vacancies are quenched in the form of complexes with hydrogen and the vacancy formation energy can be determined from the quenching temperature dependence of the intensity of the optical absorption peak due to the complexes. The vacancy formation energy of silicon was determined to be about 4.0 eV. This value is in good agreement with results of recent theoretical calculation.

Vacancies in magnesium silicide – stoichiometric vacancies preferred?

“…Using the higher standard basis function DZP in SIESTA we showed that for pure silicon and pure magnesium we are able to obtain lattice constants, bulk moduli and also -more important -vacancy formation energies close to as well experimental data [14] as to other ab-initio calculations employing e.g. a plane wave pseudo potential approach [12,13] (see Table 2).…”

Control of Defect Concentrations within a Semiconductor through Adsorption

“…Most experimental and computational literature points to a formation energy between roughly 3.2 and 3.8 eV for both interstitials and vacancies in silicon [24,25], although numbers between 2.0 and 2.5 eV have been propounded [26,27]. Our results support these lower numbers.…”

Structural Defects in Graphene

“…It is intuitively clear that the formation energy of such a defect is high because of the presence of an under-coordinated carbon atom. Indeed, calculations have given a value E f Ϸ 7.5 eV, 22,24 which is much higher than the vacancy formation energies in many other materials (e.g., 4.0 eV in Si 38 or less than 3 eV in most metals 39 ).…”