ترغب بنشر مسار تعليمي؟ اضغط هنا

Interplay of ballistic and chemical effects in the formation of structural defects for Sn and Pb implanted silica

49   0   0.0 ( 0 )
 نشر من قبل Danil Boukhvalov W
 تاريخ النشر 2012
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

The electronic structures of Sn and Pb implanted SiO2 are studied using soft X-ray absorption (XAS) and emission (XES) spectroscopy. We show, using reference compounds and ab initio calculations, that the presence of Pb-O and Sn-O interactions can be detected in the pre-edge region of the oxygen K-edge XAS. Via analysis of this interaction-sensitive pre-edge region, we find that Pb implantation results primarily in the clustering of Pb atoms. Conversely, with Sn implantation using identical conditions, strong Sn-O interactions are present, showing that Sn is coordinated with oxygen. The varying results between the two ion types are explained using both ballistic considerations and density functional theory calculations. We find that the substitution of Pb into Si sites in SiO2 requires much more energy than substituting Sn in these same sites, primarily due to the larger size of the Pb ions. From these calculated formation energies it is evident that Pb requires far higher temperatures than Sn to be soluble in SiO2. These results help explain the complex processes which take place upon implantation and determine the final products.

قيم البحث

اقرأ أيضاً

Investigations within the local spin density functional theory (LSDF) of the intermetallic hydride system $ {rm CeRhSnH_x} $ were carried out for discrete model compositions in the range $ 0.33 leq x_H leq 1.33 $. The aim of this study is to assess t he change of the cerium valence state in the neighborhood of the experimental hydride composition, $ {rm CeRhSnH_{0.8}} $. In agreement with experiment, the analyses of the electronic and magnetic structures and of the chemical bonding properties point to trivalent cerium for $ 1 leq x_H leq 1.33 $. In contrast, for lower hydrogen amounts the hydride system stays in an intermediate-valent state for cerium, like in $ {rm CeRhSn} $. The influence of the insertion of hydrogen is addressed from both the volume expansion and chemical bonding effects. The latter are found to have the main influence on the change of Ce valence character. Spin polarized calculations point to a finite magnetic moment carried by the Ce $ 4f $ states; its magnitude increases with $ x_H $ in the range $ 1 leq x_H leq 1.33 $.
The results of XPS core-level and valence band measurements, photoluminescence spectra of a-SiO2 implanted by Zn-ions (E=30 keV, D=1*1017 cm^-2) and Density Functional Theory calculations of electronic structure as well as formation energies of struc tural defects in silica glass induced by Zn-ion implantation are presented. Both theory and experiment show that it is energetically more favorable for implanted zinc ions to occupy the interstitial positions instead of cation substitution. As a result, the Zn-ions embedded to interstitials, form chemical bonds with the surrounding oxygen atoms, formation ZnO-like nanoparticles and oxygen-deficient SiOx matrix. The subsequent thermal annealing at 900 0C (1 hr) strongly reduces the amount of ZnO nanoparticles and induces the formation of {alpha}-Zn2SiO4 phase which markedly enhances the green emission.
The results of studies of supercooling upon crystallization value of Bi, Sn and Pb nanosized particles on the Al substrate and between the Al layers have been presented. It has been shown the efficiency of usage of layered film systems for investigat ion of the limiting supercooling in particle-matrix systems with an eutectic type of interaction between components. The obtained results have been discussed and compared with literature data. ----- Predstavleny rezultaty issledovanij pereohlazhdenij pri kristallizacii nanorazmernyh chastic Bi, Sn i Pb na Al podlozhke i mezhdu sloyami alyuminiya. Pokazana effektivnost ispolzovaniya sloistyh plenochnyh sistem dlya issledovaniya predelnogo pereohlazhdeniya v sistemah chastica-matrica s evtekticheskim tipom vzaimodejstviya mezhdu komponentami. Poluchennye rezultaty obsuzhdeny i sopostavleny s literaturnymi dannymi.
We address the role of Sn-substitution and Pb-vacancy (Pb-$Box$) in regulating stability and carrier concentration of CH$_3$NH$_3$Pb$_{1-X-Y}$Sn$_X$$Box_Y$I$_3$ perovskite using density functional theory, where the performance of the exchange-correla tion functional is carefully analyzed, and validated w.r.t. available experimental results. We find the most stable configuration does not prefer any Pb at 50% concentration of Sn. However, the Pb-$Box$s become unfavourable above 250K due to the reduced linearity of Sn-I bonds. For n-type host the Sn substitution is more preferable than Pb-$Box$ formation, while for p-type host the trend is exactly opposite. The charge states of both Sn and Pb-$Box$ are found to be dependent on the Sn concentration, which in turn alters the perovskite from n-type to p-type with increasing $X$ ($>$0.5).
The recent discovery of a topological phase transition in IV-VI narrow-gap semiconductors has revitalized the decades-old interest in the bulk band inversion occurring in these materials. Here we systematically study the (001) surface states of Pb{1- x}Sn{x}Se mixed crystals by means of angle-resolved photoelectron spectroscopy in the parameter space 0 <= x <= 0.37 and 300 K >= T >= 9 K. Using the surface-state observations, we monitor directly the topological phase transition in this solid solution and gain valuable information on the evolution of the underlying fundamental band gap of the system. In contrast to common model expectations, the band-gap evolution appears to be nonlinear as a function of the studied parameters, resulting in the measuring of a discontinuous band inversion process. This finding signifies that the anticipated gapless bulk state is in fact not a stable configuration and that the topological phase transition therefore exhibits features akin to a first-order transition.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا