Searching for a route to synthesize in situ epitaxial Pr2Ir2O7 thin films with thermodynamic methods

Guo, Lu; Shang, Shun-Li; Campbell, Neil; Evans, Paul G.; Rzchowski, Mark; Liu, Zi-Kui; Eom, Chang-Beom

doi:10.1038/s41524-021-00610-9

Title: Searching for a route to synthesize in situ epitaxial Pr2Ir2O7 thin films with thermodynamic methods

Journal Article · 08 September 2021 · npj Computational Materials

DOI: https://doi.org/10.1038/s41524-021-00610-9 · OSTI ID:1819395

Guo, Lu;

; Campbell, Neil; Evans, Paul G.; Rzchowski, Mark; Liu, Zi-Kui;

Abstract In situ growth of pyrochlore iridate thin films has been a long-standing challenge due to the low reactivity of Ir at low temperatures and the vaporization of volatile gas species such as IrO ₃ (g) and IrO ₂ (g) at high temperatures and high P _O2 . To address this challenge, we combine thermodynamic analysis of the Pr-Ir-O ₂ system with experimental results from the conventional physical vapor deposition (PVD) technique of co-sputtering. Our results indicate that only high growth temperatures yield films with crystallinity sufficient for utilizing and tailoring the desired topological electronic properties and the in situ synthesis of Pr ₂ Ir ₂ O ₇ thin films is fettered by the inability to grow with P _O2 on the order of 10 Torr at high temperatures, a limitation inherent to the PVD process. Thus, we suggest techniques capable of supplying high partial pressure of key species during deposition, in particular chemical vapor deposition (CVD), as a route to synthesis of Pr ₂ Ir ₂ O ₇ .

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Sponsoring Organization:: USDOE

Grant/Contract Number:: FG02-06ER46327

OSTI ID:: 1819395

Journal Information:: npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 7; ISSN 2057-3960

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (36)

Realization of Epitaxial Thin Films of the Topological Crystalline Insulator Sr ₃ SnO Ma, Yanjun; Edgeton, Anthony; Paik, Hanjong Advanced Materials, Vol. 32, Issue 34 https://doi.org/10.1002/adma.202000809	journal	July 2020
First-Principles Calculations and CALPHAD Modeling of Thermodynamics Liu, Zi-Kui Journal of Phase Equilibria and Diffusion, Vol. 30, Issue 5 https://doi.org/10.1007/s11669-009-9570-6	journal	September 2009
Calculated strain energy of hexagonal epitaxial thin films Shen, Jianyun; Johnston, Steven; Shang, Shunli Journal of Crystal Growth, Vol. 240, Issue 1-2 https://doi.org/10.1016/S0022-0248(01)02209-6	journal	April 2002
Thermo-Calc & DICTRA, computational tools for materials science Andersson, J-O; Helander, Thomas; Höglund, Lars Calphad, Vol. 26, Issue 2 https://doi.org/10.1016/S0364-5916(02)00037-8	journal	June 2002
Computational thermodynamics and its applications Liu, Zi-Kui Acta Materialia, Vol. 200 https://doi.org/10.1016/j.actamat.2020.08.008	journal	November 2020
In-operando spectroscopic ellipsometry studies of IrO2 dynamic instabilities: Guide to in-situ growth of pyrochlore iridate thin films Kim, Woo Jin; Ko, Eun Kyo; Kim, So Yeun Current Applied Physics, Vol. 19, Issue 4 https://doi.org/10.1016/j.cap.2019.01.007	journal	April 2019
Computational Thermodynamics of Materials Liu, Zi-Kui; Wang, Yi Cambridge University Press https://doi.org/10.1017/CBO9781139018265	book	January 2016
Lateral Versus Vertical Growth of Two-Dimensional Layered Transition-Metal Dichalcogenides: Thermodynamic Insight into MoS ₂ Shang, Shun-Li; Lindwall, Greta; Wang, Yi Nano Letters, Vol. 16, Issue 9 https://doi.org/10.1021/acs.nanolett.6b02443	journal	August 2016
In situ epitaxial MgB2 thin films for superconducting electronics Zeng, Xianghui; Pogrebnyakov, Alexej V.; Kotcharov, Armen Nature Materials, Vol. 1, Issue 1 https://doi.org/10.1038/nmat703	journal	September 2002
Odd-parity magnetoresistance in pyrochlore iridate thin films with broken time-reversal symmetry Fujita, T. C.; Kozuka, Y.; Uchida, M. Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep09711	journal	May 2015
Epitaxial growth of iridate pyrochlore Nd2Ir2O7 films Gallagher, J. C.; Esser, B. D.; Morrow, R. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep22282	journal	February 2016
Thermodynamics of the Mg–B system: Implications for the deposition of MgB2 thin films Liu, Zi-Kui; Schlom, D. G.; Li, Qi Applied Physics Letters, Vol. 78, Issue 23 https://doi.org/10.1063/1.1376145	journal	June 2001
Adsorption-controlled growth of BiMnO3 films by molecular-beam epitaxy Lee, J. H.; Ke, X.; Misra, R. Applied Physics Letters, Vol. 96, Issue 26 https://doi.org/10.1063/1.3457786	journal	June 2010
The adsorption-controlled growth of LuFe ₂ O ₄ by molecular-beam epitaxy Brooks, Charles M.; Misra, Rajiv; Mundy, Julia A. Applied Physics Letters, Vol. 101, Issue 13 https://doi.org/10.1063/1.4755765	journal	September 2012
Metastable honeycomb SrTiO ₃ /SrIrO ₃ heterostructures Anderson, T. J.; Ryu, S.; Zhou, H. Applied Physics Letters, Vol. 108, Issue 15 https://doi.org/10.1063/1.4947006	journal	April 2016
Interfacial B-site atomic configuration in polar (111) and non-polar (001) SrIrO ₃ /SrTiO ₃ heterostructures Anderson, T. J.; Zhou, H.; Xie, L. APL Materials, Vol. 5, Issue 9 https://doi.org/10.1063/1.4993170	journal	September 2017
Adsorption-controlled growth of La-doped BaSnO ₃ by molecular-beam epitaxy Paik, Hanjong; Chen, Zhen; Lochocki, Edward APL Materials, Vol. 5, Issue 11 https://doi.org/10.1063/1.5001839	journal	November 2017
Synthesis science of SrRuO ₃ and CaRuO ₃ epitaxial films with high residual resistivity ratios Nair, Hari P.; Liu, Yang; Ruf, Jacob P. APL Materials, Vol. 6, Issue 4 https://doi.org/10.1063/1.5023477	journal	April 2018
Growth of Pr ₂ Ir ₂ O ₇ thin films using solid phase epitaxy Ohtsuki, Takumi; Tian, Zhaoming; Halim, Mario Journal of Applied Physics, Vol. 127, Issue 3 https://doi.org/10.1063/1.5128537	journal	January 2020
Suitability of binary oxides for molecular-beam epitaxy source materials: A comprehensive thermodynamic analysis Adkison, Kate M.; Shang, Shun-Li; Bocklund, Brandon J. APL Materials, Vol. 8, Issue 8 https://doi.org/10.1063/5.0013159	journal	August 2020
Strain-induced spontaneous Hall effect in an epitaxial thin film of a Luttinger semimetal Ohtsuki, Takumi; Tian, Zhaoming; Endo, Akira Proceedings of the National Academy of Sciences, Vol. 116, Issue 18 https://doi.org/10.1073/pnas.1819489116	journal	April 2019
Quantitative compositional profiles of enhanced intermixing in GaAs/AlGaAs quantum well heterostructures annealed with and without a SiO ₂ cap layer Hulko, O.; Thompson, D. A.; Simmons, J. G. Semiconductor Science and Technology, Vol. 24, Issue 4 https://doi.org/10.1088/0268-1242/24/4/045015	journal	March 2009
Spontaneous Hall effect enhanced by local Ir moments in epitaxial P r 2 I r 2 O 7 thin films Guo, Lu; Campbell, Neil; Choi, Yongseong Physical Review B, Vol. 101, Issue 10 https://doi.org/10.1103/PhysRevB.101.104405	journal	March 2020
Structure and magnetic properties of the pyrochlore iridate Y 2 Ir 2 O 7 Shapiro, M. C.; Riggs, Scott C.; Stone, M. B. Physical Review B, Vol. 85, Issue 21 https://doi.org/10.1103/PhysRevB.85.214434	journal	June 2012
Magnetic order in the pyrochlore iridates A 2 Ir 2 O 7 ( A = Y, Yb) Disseler, S. M.; Dhital, Chetan; Amato, A. Physical Review B, Vol. 86, Issue 1 https://doi.org/10.1103/PhysRevB.86.014428	journal	July 2012
Determination of long-range all-in-all-out ordering of Ir 4 + moments in a pyrochlore iridate Eu 2 Ir 2 O 7 by resonant x-ray diffraction Sagayama, H.; Uematsu, D.; Arima, T. Physical Review B, Vol. 87, Issue 10 https://doi.org/10.1103/PhysRevB.87.100403	journal	March 2013
Variation of Charge Dynamics in the Course of Metal-Insulator Transition for Pyrochlore-Type Nd 2 Ir 2 O 7 Ueda, K.; Fujioka, J.; Takahashi, Y. Physical Review Letters, Vol. 109, Issue 13 https://doi.org/10.1103/PhysRevLett.109.136402	journal	September 2012
All-in–all-Out Magnetic Order and Propagating Spin Waves in Sm 2 Ir 2 O 7 Donnerer, C.; Rahn, M. C.; Sala, M. Moretti Physical Review Letters, Vol. 117, Issue 3 https://doi.org/10.1103/PhysRevLett.117.037201	journal	July 2016
Slater to Mott Crossover in the Metal to Insulator Transition of Nd 2 Ir 2 O 7 Nakayama, M.; Kondo, Takeshi; Tian, Z. Physical Review Letters, Vol. 117, Issue 5 https://doi.org/10.1103/PhysRevLett.117.056403	journal	July 2016
Metallic Spin-Liquid Behavior of the Geometrically Frustrated Kondo Lattice Pr 2 Ir 2 O 7 Nakatsuji, S.; Machida, Y.; Maeno, Y. Physical Review Letters, Vol. 96, Issue 8 https://doi.org/10.1103/PhysRevLett.96.087204	journal	March 2006
Exploiting kinetics and thermodynamics to grow phase-pure complex oxides by molecular-beam epitaxy under continuous codeposition Smith, Eva H.; Ihlefeld, Jon F.; Heikes, Colin A. Physical Review Materials, Vol. 1, Issue 2 https://doi.org/10.1103/PhysRevMaterials.1.023403	journal	July 2017
Achieving accurate energetics beyond (semi-)local density functional theory: Illustrated with transition metal disulfides, Cu 2 ZnSnS 4 , and Na 3 PS 4 related semiconductors Shang, Shun-Li; Wang, Yi; Anderson, Timothy J. Physical Review Materials, Vol. 3, Issue 1 https://doi.org/10.1103/PhysRevMaterials.3.015401	journal	January 2019
Adsorption-Controlled Growth of BiFeO ₃ by MBE and Integration with Wide Band Gap Semiconductors Ihlefeld, J. F. IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control, Vol. 56, Issue 8 https://doi.org/10.1109/TUFFC.2009.1216	journal	August 2009
Metal–Insulator Transitions in Pyrochlore Oxides Ln ₂ Ir ₂ O ₇ Matsuhira, Kazuyuki; Wakeshima, Makoto; Hinatsu, Yukio Journal of the Physical Society of Japan, Vol. 80, Issue 9 https://doi.org/10.1143/JPSJ.80.094701	journal	September 2011
Emergence of Magnetic Long-range Order in Frustrated Pyrochlore Nd ₂ Ir ₂ O ₇ with Metal–Insulator Transition Tomiyasu, Keisuke; Matsuhira, Kazuyuki; Iwasa, Kazuaki Journal of the Physical Society of Japan, Vol. 81, Issue 3 https://doi.org/10.1143/JPSJ.81.034709	journal	March 2012
Surface Roughening of Heteroepitaxial thin Films Gao, Huajian; Nix, William D. Annual Review of Materials Science, Vol. 29, Issue 1 https://doi.org/10.1146/annurev.matsci.29.1.173	journal	August 1999

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