منابع مشابه
Self-Diffusion in Amorphous Silicon.
The present Letter reports on self-diffusion in amorphous silicon. Experiments were done on ^{29}Si/^{nat}Si heterostructures using neutron reflectometry and secondary ion mass spectrometry. The diffusivities follow the Arrhenius law in the temperature range between 550 and 700 °C with an activation energy of (4.4±0.3) eV. In comparison with single crystalline silicon the diffusivities are tre...
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The rate performance of lithium-ion secondary batteries depends critically on the kinetic transport of Li within the anode material. Here we use first-principles theoretical calculations to study the diffusion of Li in the low-concentration limit, using model electrodes of crystalline and four-fold coordinated bulk amorphous silicon. We identify Li diffusion pathways that have relatively low en...
متن کاملThermally stimulated H emission and diffusion in hydrogenated amorphous silicon
We report first principles ab initio density functional calculations of hydrogen dynamics in hydrogenated amorphous silicon. Thermal motion of the host Si atoms drives H diffusion, as we demonstrate by direct simulation and explain with simple models. Si-Si bond centers and Si ring centers are local energy minima as expected. We also describe a new mechanism for breaking Si-H bonds to release f...
متن کاملBasic mechanisms of structural relaxation and diffusion in amorphous silicon
The low-temperature dynamics in amorphous silicon occurs through a sequence of discrete, activated events that reorganize the topology of the network. In this review, we present some recent work done to understand better the nature of these events and the associated dynamics in a-Si. Using the activation-relaxation technique (ART), we generated more than 8000 events in a 1000-atom model of a-Si...
متن کاملDefects in Amorphous Semiconductors: Amorphous Silicon
Defects in disordered (amorphous) semiconductors are discussed, with an emphasis on hydrogenated amorphous silicon. The general differences between defect phenomena in crystalline and amorphous hosts are described, and the special importance of the electron–phonon coupling is stressed. Detailed calculations for amorphous Si are presented using accurate first principles (density-functional) tech...
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ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2016
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.116.025901