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Effects of hydrogen desorption on mechanical stiffness, vibrational spectra, and electron density of states of carbon nanothreads with diamond-like structure are studied within the framework of tight-binding model. It is shown that stiffness changes little at the initial stage of desorption and starts to decrease significantly only after desorption of ∼ 20% of hydrogen atoms. Upon desorption, energy levels appear within the bandgap which finally form the impurity band. Физика и техника полупроводников, 2017, том 51, вып. 5

Влияние десорбции водорода на механические свойства и электронную структуру алмазоподобных углеродных нанониток