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Author Bano, Amreen ♦ Khare, Preeti ♦ Parey, Vanshree ♦ Shukla, Aarti ♦ Gaur, N. K.
Source United States Department of Energy Office of Scientific and Technical Information
Content type Text
Language English
Subject Keyword CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS ♦ APPROXIMATIONS ♦ CESIUM COMPOUNDS ♦ CORRELATIONS ♦ CUBIC LATTICES ♦ ELECTRONIC STRUCTURE ♦ LEAD IODIDES ♦ ORGANIC MATTER ♦ P CODES ♦ PHONONS ♦ POTENTIALS ♦ SOLAR CELLS
Abstract Metal halide perovskites are optoelectronic materials that have attracted enormous attention as solar cells with power conversion efficiencies reaching 20%. The benefit of using hybrid compounds resides in their ability to combine the advantage of these two classes of compounds: the high mobility of inorganic materials and the ease of processing of organic materials. In spite of the growing attention of this new material, very little is known about the electronic and phonon properties of the inorganic part of this compounds. A theoretical study of structural, electronic and phonon properties of metal-halide cubic perovskite, CsPbI{sub 3} is presented, using first-principles calculations with planewave pseudopotential method as personified in PWSCF code. In this approach local density approximation (LDA) is used for exchange-correlation potential.
ISSN 0094243X
Educational Use Research
Learning Resource Type Article
Publisher Date 2016-05-06
Publisher Place United States
Volume Number 1728
Issue Number 1


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