Electronic band structure trends of perovskite halides: Beyond Pb and Sn to Ge and Si

Huang, Ling-yi; Lambrecht, Walter R.  L.

doi:10.1103/PhysRevB.93.195211

Electronic band structure trends of perovskite halides: Beyond Pb and Sn to Ge and Si

Journal Article · Mon May 23 00:00:00 EDT 2016 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.93.195211· OSTI ID:1591890

Huang, Ling-yi ^[1]; ^[2]

Case Western Reserve Univ., Cleveland, OH (United States); Case Western Reserve University
Case Western Reserve Univ., Cleveland, OH (United States)

The trends in electronic band structure are investigated in the cubic ABX₃ halide perovskites fo rA=Cs;B=Pb,Sn, Ge, Si; andX=I, Br, Cl. The gaps are found to decrease from Pb to Sn and from Ge to Si, but increase from Sn to Ge. The trend is explained in terms of the atomic levels of the group-IV element and the atomic sizes which changes the amount of hybridization with X-p and hence the valence bandwidth. Along the same series spin-orbit coupling also decreases and this tends to increase the gap because of the smaller splitting of the conduction band minimum. Both effects compensate each other to a certain degree. The trend with halogens is to reduce the gap from Cl to I, i.e., with decreasing electronegativity. The part of the tolerance factor in avoiding octahedron rotations and octahedron edge sharing is discussed. The Ge containing compounds have tolerance factor t>1 and hence do not show the series of octahedral rotation distortions and the existence of edge-sharing octahedral phases known for Pb and Sn-based compounds, but rather a rhombohedral distortion. CsGeI₃ is found to have a suitable gap for photovoltaics both in its cubic (high-temperature) and rhombohedral (low-temperature) phases. The structural stability of the materials in the different phases is also discussed. We find the rhombohedral phase to have lower total energy and slightly larger gaps but to present a less significant distortion of the bandstructure than the edge-sharing octahedral phases, such as the yellow phase in CsSnI3. The corresponding silicon based compounds have not yet been synthesized and therefore our estimates are less certain but indicate a small gap for cubic CsSiI₃ and CsSiBr₃of about 0.2±0.2 eV and 0.8±0.6 eV for CsSiCl₃. The intrinsic stability of the Si compounds is discussed.

View Accepted Manuscript (DOE)

Research Organization:: Case Western Reserve Univ., Cleveland, OH (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: SC0008933

OSTI ID:: 1591890

Alternate ID(s):: OSTI ID: 1254217

Journal Information:: Physical Review B, Journal Name: Physical Review B Journal Issue: 19 Vol. 93; ISSN 2469-9950; ISSN PRBMDO

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (58)

Morphological Control for High Performance, Solution-Processed Planar Heterojunction Perovskite Solar Cells Eperon, Giles E.; Burlakov, Victor M.; Docampo, Pablo Advanced Functional Materials, Vol. 24, Issue 1, p. 151-157 https://doi.org/10.1002/adfm.201302090	journal	September 2013
Kristallstrukturen und Phasentransformationen von Caesiumtrihalogenogermanaten(II) CsGeX3 (X = Cl, Br, I) Thiele, Gerhard; Rotter, Heinz Wilhelm; Schmidt, Klaus Dieter Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 545, Issue 2 https://doi.org/10.1002/zaac.19875450217	journal	February 1987
Luminescence and structural transformations of CsSnCl3 crystals Voloshinovskii, A. S.; Myagkota, S. V.; Pidzyrailo, N. S. Journal of Applied Spectroscopy, Vol. 60, Issue 3-4 https://doi.org/10.1007/BF02606360	journal	March 1994
Luminescence and electrical conductivity of CsSnBr3, and related phases Clark, Stephen J.; Flint, Colin D.; Donaldson, John D. Journal of Physics and Chemistry of Solids, Vol. 42, Issue 3 https://doi.org/10.1016/0022-3697(81)90072-X	journal	January 1981
Luminescence and electrical conductivity of CsSnBr3 and related phases Clark, StephenJ.; Flint, ColinD.; Donaldson, JohnD. Solid State Communications, Vol. 37, Issue 4 https://doi.org/10.1016/0038-1098(81)90393-8	journal	January 1981
High-throughput electronic band structure calculations: Challenges and tools Setyawan, Wahyu; Curtarolo, Stefano Computational Materials Science, Vol. 49, Issue 2 https://doi.org/10.1016/j.commatsci.2010.05.010	journal	August 2010
Photoluminescence study of polycrystalline CsSnI₃ thin films: Determination of exciton binding energy Chen, Zhuo; Yu, Chonglong; Shum, Kai Journal of Luminescence, Vol. 132, Issue 2, p. 345-349 https://doi.org/10.1016/j.jlumin.2011.09.006	journal	February 2012
High-temperature structural evolution of caesium and rubidium triiodoplumbates Trots, D. M.; Myagkota, S. V. Journal of Physics and Chemistry of Solids, Vol. 69, Issue 10, p. 2520-2526 https://doi.org/10.1016/j.jpcs.2008.05.007	journal	October 2008
Perovskite solar cells: an emerging photovoltaic technology Park, Nam-Gyu Materials Today, Vol. 18, Issue 2 https://doi.org/10.1016/j.mattod.2014.07.007	journal	March 2015
Infrared Spectroscopic Study of Vibrational Modes in Methylammonium Lead Halide Perovskites Glaser, Tobias; Müller, Christian; Sendner, Michael The Journal of Physical Chemistry Letters, Vol. 6, Issue 15 https://doi.org/10.1021/acs.jpclett.5b01309	journal	July 2015
Rashba Spin–Orbit Coupling Enhanced Carrier Lifetime in CH ₃ NH ₃ PbI ₃ Zheng, Fan; Tan, Liang Z.; Liu, Shi Nano Letters, Vol. 15, Issue 12 https://doi.org/10.1021/acs.nanolett.5b01854	journal	November 2015
Strain-Induced Ferroelectric Topological Insulator Liu, Shi; Kim, Youngkuk; Tan, Liang Z. Nano Letters, Vol. 16, Issue 3 https://doi.org/10.1021/acs.nanolett.5b04545	journal	February 2016
Interplay of Orientational Order and Electronic Structure in Methylammonium Lead Iodide: Implications for Solar Cell Operation Quarti, Claudio; Mosconi, Edoardo; De Angelis, Filippo Chemistry of Materials, Vol. 26, Issue 22 https://doi.org/10.1021/cm5032046	journal	November 2014
Pressure-Induced Changes in the Structure and Band Gap of CsGeX ₃ (X = Cl, Br) Studied by Electronic Band Structure Calculations Seo, D. -K.; Gupta, N.; Whangbo, M. -H. Inorganic Chemistry, Vol. 37, Issue 3 https://doi.org/10.1021/ic970659e	journal	February 1998
CsSnI₃ : Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions Chung, In; Song, Jung-Hwan; Im, Jino Journal of the American Chemical Society, Vol. 134, Issue 20, p. 8579-8587 https://doi.org/10.1021/ja301539s	journal	May 2012
Organometal Halide Perovskites as Visible-Light Sensitizers for Photovoltaic Cells Kojima, Akihiro; Teshima, Kenjiro; Shirai, Yasuo Journal of the American Chemical Society, Vol. 131, Issue 17, p. 6050-6051 https://doi.org/10.1021/ja809598r	journal	May 2009
Hybrid Germanium Iodide Perovskite Semiconductors: Active Lone Pairs, Structural Distortions, Direct and Indirect Energy Gaps, and Strong Nonlinear Optical Properties Stoumpos, Constantinos C.; Frazer, Laszlo; Clark, Daniel J. Journal of the American Chemical Society, Vol. 137, Issue 21 https://doi.org/10.1021/jacs.5b01025	journal	May 2015
Organolead Halide Perovskite: New Horizons in Solar Cell Research Kim, Hui-Seon; Im, Sang Hyuk; Park, Nam-Gyu The Journal of Physical Chemistry C, Vol. 118, Issue 11, p. 5615-5625 https://doi.org/10.1021/jp409025w	journal	February 2014
Atomistic Origins of High-Performance in Hybrid Halide Perovskite Solar Cells Frost, Jarvist M.; Butler, Keith T.; Brivio, Federico Nano Letters, Vol. 14, Issue 5 https://doi.org/10.1021/nl500390f	journal	April 2014
Nanoscale Charge Localization Induced by Random Orientations of Organic Molecules in Hybrid Perovskite CH ₃ NH ₃ PbI ₃ Ma, Jie; Wang, Lin-Wang Nano Letters, Vol. 15, Issue 1 https://doi.org/10.1021/nl503494y	journal	December 2014
Crystal Structure and Photoconductivity of Cæsium Plumbohalides MØLler, Chr. Kn. Nature, Vol. 182, Issue 4647 https://doi.org/10.1038/1821436a0	journal	November 1958
All-solid-state dye-sensitized solar cells with high efficiency Chung, In; Lee, Byunghong; He, Jiaqing Nature, Vol. 485, Issue 7399, p. 486-489 https://doi.org/10.1038/nature11067	journal	May 2012
Sequential deposition as a route to high-performance perovskite-sensitized solar cells Burschka, Julian; Pellet, Norman; Moon, Soo-Jin Nature, Vol. 499, Issue 7458, p. 316-319 https://doi.org/10.1038/nature12340	journal	July 2013
Efficient planar heterojunction perovskite solar cells by vapour deposition Liu, Mingzhen; Johnston, Michael B.; Snaith, Henry J. Nature, Vol. 501, Issue 7467, p. 395-398 https://doi.org/10.1038/nature12509	journal	September 2013
Steric engineering of metal-halide perovskites with tunable optical band gaps Filip, Marina R.; Eperon, Giles E.; Snaith, Henry J. Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms6757	journal	December 2014
The dynamics of methylammonium ions in hybrid organic–inorganic perovskite solar cells Leguy, Aurelien M. A.; Frost, Jarvist Moore; McMahon, Andrew P. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8124	journal	May 2015
A search model for topological insulators with high-throughput robustness descriptors Yang, Kesong; Setyawan, Wahyu; Wang, Shidong Nature Materials, Vol. 11, Issue 7 https://doi.org/10.1038/nmat3332	journal	May 2012
Lead-free organic–inorganic tin halide perovskites for photovoltaic applications Noel, Nakita K.; Stranks, Samuel D.; Abate, Antonio Energy Environ. Sci., Vol. 7, Issue 9 https://doi.org/10.1039/C4EE01076K	journal	January 2014
Lead-free germanium iodide perovskite materials for photovoltaic applications Krishnamoorthy, Thirumal; Ding, Hong; Yan, Chen Journal of Materials Chemistry A, Vol. 3, Issue 47 https://doi.org/10.1039/C5TA05741H	journal	January 2015
The Mössbauer effect in tin( II ) compounds. Part XI. The spectra of cubic trihalogenostannates( II ) Barrett, J.; Bird, S. R. A.; Donaldson, J. D. J. Chem. Soc. A, Vol. 0, Issue 0 https://doi.org/10.1039/J19710003105	journal	January 1971
Low-temperature processed meso-superstructured to thin-film perovskite solar cells Ball, James M.; Lee, Michael M.; Hey, Andrew Energy & Environmental Science, Vol. 6, Issue 6 https://doi.org/10.1039/c3ee40810h	journal	January 2013
First principles selection and design of mid-IR nonlinear optical halide crystals Kang, Lei; Ramo, David Muñoz; Lin, Zheshuai Journal of Materials Chemistry C, Vol. 1, Issue 44 https://doi.org/10.1039/c3tc31283f	journal	January 2013
Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells Shockley, William; Queisser, Hans J. Journal of Applied Physics, Vol. 32, Issue 3, p. 510-519 https://doi.org/10.1063/1.1736034	journal	March 1961
Synthesis and characterization of CsSnI₃ thin films Shum, Kai; Chen, Zhuo; Qureshi, Jawad Applied Physics Letters, Vol. 96, Issue 22, Article No. 221903 https://doi.org/10.1063/1.3442511	journal	May 2010
Oscillatory effects and the magnetic susceptibility of carriers in inversion layers Bychkov, Yu A.; Rashba, E. I. Journal of Physics C: Solid State Physics, Vol. 17, Issue 33 https://doi.org/10.1088/0022-3719/17/33/015	journal	November 1984
A local exchange-correlation potential for the spin polarized case. i Barth, U. von; Hedin, L. Journal of Physics C: Solid State Physics, Vol. 5, Issue 13 https://doi.org/10.1088/0022-3719/5/13/012	journal	July 1972
Electronic structure and optical properties of rhombohedral CsGeI ₃ crystal Tang, Li-Chuan; Chang, Chen-Shiung; Tang, Li-Chuan Journal of Physics: Condensed Matter, Vol. 12, Issue 43 https://doi.org/10.1088/0953-8984/12/43/303	journal	October 2000
Spin-Orbit Coupling Effects in Zinc Blende Structures Dresselhaus, G. Physical Review, Vol. 100, Issue 2 https://doi.org/10.1103/PhysRev.100.580	journal	October 1955
Quasiparticle self-consistent G W method: A basis for the independent-particle approximation Kotani, Takao; van Schilfgaarde, Mark; Faleev, Sergey V. Physical Review B, Vol. 76, Issue 16 https://doi.org/10.1103/PhysRevB.76.165106	journal	October 2007
Fusion of the LAPW and LMTO methods: The augmented plane wave plus muffin-tin orbital method Kotani, Takao; van Schilfgaarde, Mark Physical Review B, Vol. 81, Issue 12 https://doi.org/10.1103/PhysRevB.81.125117	journal	March 2010
Electronic band structure, phonons, and exciton binding energies of halide perovskites CsSnCl 3 , CsSnBr 3 , and CsSnI 3 Huang, Ling-yi; Lambrecht, Walter R. L. Physical Review B, Vol. 88, Issue 16 https://doi.org/10.1103/PhysRevB.88.165203	journal	October 2013
Lattice dynamics in perovskite halides CsSn X 3 with X = I , Br , Cl Huang, Ling-yi; Lambrecht, Walter R. L. Physical Review B, Vol. 90, Issue 19 https://doi.org/10.1103/PhysRevB.90.195201	journal	November 2014
Phase stability and transformations in the halide perovskite CsSnI 3 da Silva, E. Lora; Skelton, Jonathan M.; Parker, Stephen C. Physical Review B, Vol. 91, Issue 14 https://doi.org/10.1103/PhysRevB.91.144107	journal	April 2015
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Quasiparticle Self-Consistent G W Theory van Schilfgaarde, M.; Kotani, Takao; Faleev, S. Physical Review Letters, Vol. 96, Issue 22 https://doi.org/10.1103/PhysRevLett.96.226402	journal	June 2006
Structures of the perhalogenated cyclopentasilanes Si5Br10 and Si5I10 at normal and low temperatures Kratky, Ch.; Hengge, H.; Stüger, H. Acta Crystallographica Section C Crystal Structure Communications, Vol. 41, Issue 6 https://doi.org/10.1107/S0108270185005650	journal	June 1985
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976
Efficient Hybrid Solar Cells Based on Meso-Superstructured Organometal Halide Perovskites Lee, M. M.; Teuscher, J.; Miyasaka, T. Science, Vol. 338, Issue 6107, p. 643-647 https://doi.org/10.1126/science.1228604	journal	October 2012
Electron-Hole Diffusion Lengths Exceeding 1 Micrometer in an Organometal Trihalide Perovskite Absorber Stranks, S. D.; Eperon, G. E.; Grancini, G. Science, Vol. 342, Issue 6156, p. 341-344 https://doi.org/10.1126/science.1243982	journal	October 2013
Elementary Electronic Structure Harrison, Walter World Scientific https://doi.org/10.1142/4121	book	June 1999
Elementary Electronic Structure Harrison, Walter A. World Scientific https://doi.org/10.1142/5432	book	April 2004
Structural Phase Transitions of the Polymorphs of CsSnI₃ by Means of Rietveld Analysis of the X-Ray Diffraction Yamada, Koji; Funabiki, Shinya; Horimoto, Hiromi Chemistry Letters, Vol. 20, Issue 5, p. 801-804 https://doi.org/10.1246/cl.1991.801	journal	May 1991
Die Kristallstruktur yon RbGeCl3 / The Crystal Structure of RbGeCl3 Messer, Dieter Zeitschrift für Naturforschung B, Vol. 33, Issue 4 https://doi.org/10.1515/znb-1978-0403	journal	April 1978
High-throughput electronic band structure calculations: challenges and tools Setyawan, Wahyu; Curtarolo, Stefano arXiv https://doi.org/10.48550/arxiv.1004.2974	text	January 2010
Steric engineering of metal-halide perovskites with tunable optical band gaps Filip, Marina R.; Eperon, Giles E.; Snaith, Henry J. arXiv https://doi.org/10.48550/arxiv.1409.6478	text	January 2014
Quasiparticle Self-Consistent GW Theory van Schilfgaarde, M.; Kotani, T.; Faleev, S. arXiv https://doi.org/10.48550/arxiv.cond-mat/0510408	text	January 2005
Quasiparticle self-consistent $GW$ method; a basis for the independent-particle approximation Kotani, Takao; van Schilfgaarde, Mark; Faleev, Sergey V. arXiv https://doi.org/10.48550/arxiv.cond-mat/0611002	text	January 2006
Near-band-edge optical responses of solution-processed organic–inorganic hybrid perovskite CH ₃ NH ₃ PbI ₃ on mesoporous TiO ₂ electrodes Yamada, Yasuhiro; Nakamura, Toru; Endo, Masaru Applied Physics Express, Vol. 7, Issue 3 https://doi.org/10.7567/APEX.7.032302	journal	February 2014

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