Genesis of "Solitary Cations" Induced by Atomic Hydrogen

作者：Pettinari Giorgio^*; Filippone Francesco; Polimeni Antonio; Mattioli Giuseppe; Patane Amalia; Lebedev Vladim; Capizzi Mario; Bonapasta Aldo Amore

来源：Advanced Functional Materials, 2015, 25(33): 5353-5359.

DOI：10.1002/adfm.201501858

• band-gap opening
• density functional theory
• hydrogen effects
• nitrides
• theoretical simulations

Substitution of constituent atoms and/or changes of crystal structure are routinely used to tailor the fundamental properties of a semiconductor. Here, it is shown that such a tailoring can also be realized thanks to a novel hydrogen effect. Four hydrogen atoms can screen the effect the crystal potential has on a constituent cation, thus generating a solitary cation: an effectively isolated impurity, so chemically different from the unscreened constituent cations that it strongly perturbs the electronic properties of the material by increasing its fundamental band-gap energy. Such a hydrogen-induced screening effect is removed by thermal treatments, thus permitting reversible modifications of both the crystal chemistry and material's properties. This phenomenon, observed in InN and other topical nitrides, should permit the development of a new class of materials as well as the fabrication of photonic devices and optical integrated circuits with distinct, tailor-made regions emitting or absorbing light, all integrated onto a monolithic semiconductor structure.

• 出版日期2015-9-2