Band gap engineering of In2O3 by alloying with Tl2O3
نویسندگان
چکیده
منابع مشابه
Increasing the band gap of iron pyrite by alloying with oxygen.
Systematic density functional theory studies and model analyses have been used to show that the band gap of iron pyrite (FeS(2)) can be increased from ~1.0 to 1.2-1.3 eV by replacing ~10% of the sulfur atoms with oxygen atoms (i.e., ~10% O(S) impurities). O(S) formation is exothermic, and the oxygen atoms tend to avoid O-O dimerization, which favors the structural stability of homogeneous FeS(2...
متن کاملNature of the band gap of In2O3 revealed by first-principles calculations and x-ray spectroscopy.
Bulk and surface sensitive x-ray spectroscopic techniques are applied in tandem to show that the valence band edge for In2O3 is found significantly closer to the bottom of the conduction band than expected on the basis of the widely quoted bulk band gap of 3.75 eV. First-principles theory shows that the upper valence bands of In2O3 exhibit a small dispersion and the conduction band minimum is p...
متن کاملBand gap engineering of bulk ZrO2 by Ti doping.
It has been experimentally observed that Ti doping of bulk ZrO(2) induces a large red-shift of the optical absorption edge of the material from 5.3 to 4.0 eV [Livraghi et al., J. Phys. Chem. C, 2010, 114, 18553-18558]. In this work, density functional calculations based on the hybrid functional B3LYP show that Ti dopants in the substitutional position to Zr in the tetragonal lattice cause the f...
متن کاملEnergy band-gap engineering of graphene nanoribbons.
We investigate electronic transport in lithographically patterned graphene ribbon structures where the lateral confinement of charge carriers creates an energy gap near the charge neutrality point. Individual graphene layers are contacted with metal electrodes and patterned into ribbons of varying widths and different crystallographic orientations. The temperature dependent conductance measurem...
متن کاملBand Gap Engineering of Two-Dimensional Nitrogene
In our previous study, we have predicted the novel two-dimensional honeycomb monolayers of pnictogen. In particular, the structure and properties of the honeycomb monolayer of nitrogen, which we call nitrogene, are very unusual. In this paper, we make an in-depth investigation of its electronic structure. We find that the band structure of nitrogene can be engineered in several ways: controllin...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Applied Physics Letters
سال: 2013
ISSN: 0003-6951,1077-3118
DOI: 10.1063/1.4860986