相关论文: Thermally activated reorientation of di-interstiti…
At low temperatures, dynamics in amorphous silicon occurs through a sequence of discrete activated events that locally reorganize the topological network. Using the activation-relaxation technique, a data base containing over 8000 such…
We present a study of the self-interstitial point defect formation energies in silicon using a range of quantum chemical theories including the coupled cluster (CC) method within a periodic supercell approach. We study the formation…
The concentration of primary radiation induced defects has been previously estimated considering both the explicit mechanisms of the primary interaction between the incoming particle and the nuclei of the semiconductor lattice, and the…
We addressed the carrier dynamics in so-called G-centers in silicon (consisting of substitutional-interstitial carbon pairs interacting with interstitial silicons) obtained via ion implantation into a silicon-on-insulator wafer. For this…
Electrical properties of point defects in 4$H$-SiC have been studied extensively, but those related to carbon interstitials (C$_{i}$) have remained surprisingly elusive until now. Indeed, when introduced via ion irradiation or implantation,…
Irradiation damage is a key physics issue for semiconductor devices under extreme environments. For decades, the ionization-irradiation-induced damage in transistors with silica-silicon structures under constant dose rate is modeled by a…
Defect engineering is foundational to classical electronic device development and for emerging quantum devices. Here, we report on defect engineering of silicon single crystals with ion pulses from a laser accelerator with ion flux levels…
Recently, we developed a method to construct polynomial interatomic potentials from ab-initio calculations in order to accurately describe laser excited solids [PRL 124, 085501 (2020)]. However, ab-initio methods, and therefore analytical…
We identify the W center in self-implanted crystalline Si with the three-membered self-interstitial cluster I_3 on the basis of first-principles density-functional-theory calculations matching all the known experimental signatures of the…
We generate silicon vacancy related defects in high-quality epitaxial silicon carbide layers by means of electron irradiation. By controlling the irradiation fluence, the defect concentration is varied over several orders of magnitude. We…
Solid-phase epitaxial crystallization of amorphous Si layers on a crystalline Si substrate during B-ion irradiation is investigated over the temperature range 293 - 573 K. Regrowth occurs at all measured temperatures, with activation energy…
We present a comprehensive first-principles investigation of carbon self-interstitial defects in diamond, ranging from mono- to hexa-interstitial complexes. By quantum mechanical density functional theory, empowered by interatomic potential…
The silicon vacancy (SiV) center in diamond is drawing much attention due to its optical and spin properties, attractive for quantum information processing and sensing. Comparatively little is known, however, about the dynamics governing…
The annealing kinetics of mobile intrinsic defects is investigated by an ab initio method based on density functional theory. The interstitial-vacancy recombination, the diffusion of vacancies and interstitials to defect sinks (e.g.…
The interstitial oxygen centers in silicon and germanium are reconsidered and compared in an analysis based on the first-principles total-energy determination of the potential-energy surface of the centers, and a calculation of their…
Recent ab initio calculations [Mattausch et al., Phys. Rev. B 70, 235211 (2004)] of carbon clusters in SiC reveal a possible connection between the tricarbon antisite (C_3)_Si and the U photoluminescence center in 6H-SiC [Evans et al.,…
We have used tight-binding molecular-dynamics simulations to investigate the role of point defects (vacancies and interstitials) on structural relaxation in amorphous silicon. Our calculations give unambiguous evidence that point defects…
Thermal properties of a two-layered composite conductor are modified in case the interface is damaged. The present paper deals with nondestructive evaluation of perturbations of interface thermal conductance due to the presence of defects.…
A model of the interstitial diffusion of ion-implanted boron during rapid thermal annealing of silicon layers previously amorphized by implantation of germanium has been proposed. It is supposed that the boron interstitials are generated…
The mechanism underlying the long-range interstitial migration of nonequilibrium impurity interstitial species is used to simulate arsenic redistribution in ion implantation. An excellent agreement of the calculated arsenic concentration…