Semiconducting ferroelectric perovskites with intermediate bands via B-site Bi5+ doping
نویسندگان
چکیده
Lai Jiang,1 Ilya Grinberg,1 Fenggong Wang,1 Steve M. Young,1 Peter K. Davies,2 and Andrew M. Rappe1,2,* 1The Makineni Theoretical Laboratories, Department of Chemistry, University of Pennsylvania, Philadelphia, Pennsylvania 19104–6323, USA 2Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, Pennsylvania 19104–6272, USA (Received 28 March 2014; revised manuscript received 28 June 2014; published 29 August 2014)
منابع مشابه
Ruddlesden–Popper perovskite sulfides A3B2S7: A new family of ferroelectric photovoltaic materials for the visible spectrum
Perovskite ferroelectric materials exhibit the novel ferroelectric photovoltaic effect, where photon-excited electron–hole pairs can be separated by ferroelectric polarization. Especially, semiconducting ferroelectric materials with small band gaps ( ) Eg have been extensively studied for applications in solar energy conversion. Traditional route for creating semiconducting ferroelectrics requi...
متن کاملSwitchable S = 1/2 and J = 1/2 Rashba bands in ferroelectric halide perovskites.
The Rashba effect is spin degeneracy lift originated from spin-orbit coupling under inversion symmetry breaking and has been intensively studied for spintronics applications. However, easily implementable methods and corresponding materials for directional controls of Rashba splitting are still lacking. Here, we propose organic-inorganic hybrid metal halide perovskites as 3D Rashba systems driv...
متن کاملBand-gap engineering via local environment in complex oxides
We examine band-structure engineering in extremely tetragonal ferroelectric perovskites (ABO3) to make these materials suitable for photovoltaic applications. Using first-principles calculations, we study how B-site ordering, lattice strain, cation identity, and oxygen octahedral cage tilts affect the energies and the compositions of the valence and conduction bands. We find that extreme tetrag...
متن کاملSemiconducting ferroelectric photovoltaics through Zn2+ doping into KNbO3 and polarization rotation
We demonstrate a new band engineering strategy for the design of semiconductor perovskite ferroelectrics for photovoltaic and other applications from first principles. We study six ferroelectric solid solutions created by partially substituting Zn2+ for Nb5+ into the parent KNbO3 material, combined with charge compensation at the A sites with different combinations of higher valence cations. Ou...
متن کاملDepletion layers and domain walls in semiconducting ferroelectric thin films.
Commonly used ferroelectric perovskites are also wide-band-gap semiconductors. In such materials, the polarization and the space-charge distribution are intimately coupled, and this Letter studies them simultaneously with no a priori ansatz on either. In particular, we study the structure of domain walls and the depletion layers that form at the metal-ferroelectric interfaces. We find the coupl...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره شماره
صفحات -
تاریخ انتشار 2014