The structural, electronic and phonon behavior of CsPbI3: A first principles study

Amreen Bano; Preeti Khare; Vanshree Parey; Aarti Shukla; N. K. Gaur

doi:10.1063/1.4946150

The structural, electronic and phonon behavior of CsPbI₃: A first principles study

Amreen Bano, Preeti Khare, Vanshree Parey, Aarti Shukla, N. K. Gaur

Barkatullah University

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

7 Scopus citations

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, CsPbI₃ 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.

Original language	English
Title of host publication	International Conference on Condensed Matter and Applied Physics, ICC 2015
Subtitle of host publication	Proceeding of International Conference on Condensed Matter and Applied Physics
Editors	Manoj Singh Shekhawat, Sudhir Bhardwaj, Bhuvneshwer Suthar
Publisher	American Institute of Physics Inc.
ISBN (Electronic)	9780735413757
DOIs	https://doi.org/10.1063/1.4946150
State	Published - 6 May 2016
Externally published	Yes
Event	International Conference on Condensed Matter and Applied Physics, ICC 2015 - Bikaner, India Duration: 30 Oct 2015 → 31 Oct 2015

Publication series

Name	AIP Conference Proceedings
Volume	1728
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	International Conference on Condensed Matter and Applied Physics, ICC 2015
Country/Territory	India
City	Bikaner
Period	30/10/15 → 31/10/15

Bibliographical note

Publisher Copyright:
© 2016 Author(s).

Access to Document

10.1063/1.4946150

Cite this

Bano, A., Khare, P., Parey, V., Shukla, A., & Gaur, N. K. (2016). The structural, electronic and phonon behavior of CsPbI₃: A first principles study. In M. S. Shekhawat, S. Bhardwaj, & B. Suthar (Eds.), International Conference on Condensed Matter and Applied Physics, ICC 2015: Proceeding of International Conference on Condensed Matter and Applied Physics Article 020099 (AIP Conference Proceedings; Vol. 1728). American Institute of Physics Inc.. https://doi.org/10.1063/1.4946150

Bano, Amreen ; Khare, Preeti ; Parey, Vanshree et al. / The structural, electronic and phonon behavior of CsPbI₃ : A first principles study. International Conference on Condensed Matter and Applied Physics, ICC 2015: Proceeding of International Conference on Condensed Matter and Applied Physics. editor / Manoj Singh Shekhawat ; Sudhir Bhardwaj ; Bhuvneshwer Suthar. American Institute of Physics Inc., 2016. (AIP Conference Proceedings).

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Bano, A, Khare, P, Parey, V, Shukla, A & Gaur, NK 2016, The structural, electronic and phonon behavior of CsPbI₃: A first principles study. in MS Shekhawat, S Bhardwaj & B Suthar (eds), International Conference on Condensed Matter and Applied Physics, ICC 2015: Proceeding of International Conference on Condensed Matter and Applied Physics., 020099, AIP Conference Proceedings, vol. 1728, American Institute of Physics Inc., International Conference on Condensed Matter and Applied Physics, ICC 2015, Bikaner, India, 30/10/15. https://doi.org/10.1063/1.4946150

The structural, electronic and phonon behavior of CsPbI₃: A first principles study. / Bano, Amreen; Khare, Preeti; Parey, Vanshree et al.
International Conference on Condensed Matter and Applied Physics, ICC 2015: Proceeding of International Conference on Condensed Matter and Applied Physics. ed. / Manoj Singh Shekhawat; Sudhir Bhardwaj; Bhuvneshwer Suthar. American Institute of Physics Inc., 2016. 020099 (AIP Conference Proceedings; Vol. 1728).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

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Bano A, Khare P, Parey V, Shukla A, Gaur NK. The structural, electronic and phonon behavior of CsPbI₃: A first principles study. In Shekhawat MS, Bhardwaj S, Suthar B, editors, International Conference on Condensed Matter and Applied Physics, ICC 2015: Proceeding of International Conference on Condensed Matter and Applied Physics. American Institute of Physics Inc. 2016. 020099. (AIP Conference Proceedings). doi: 10.1063/1.4946150