Core level excitation spectra of La and Mn ions in LaMnO3

doi:10.1088/1674-1056/acfaf5

中国物理B ›› 2024, Vol. 33 ›› Issue (3): 33201-033201.doi: 10.1088/1674-1056/acfaf5

Core level excitation spectra of La and Mn ions in LaMnO₃

Fujian Li(李福建), Xinlu Cheng(程新路), and Hong Zhang(张红)^†

Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, Chin

收稿日期:2023-06-28 修回日期:2023-09-14 接受日期:2023-09-19 出版日期:2024-02-22 发布日期:2024-02-22
通讯作者: Hong Zhang E-mail:hongzhang@scu.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 11974253).

Core level excitation spectra of La and Mn ions in LaMnO₃

Fujian Li(李福建), Xinlu Cheng(程新路), and Hong Zhang(张红)^†

Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, Chin

Received:2023-06-28 Revised:2023-09-14 Accepted:2023-09-19 Online:2024-02-22 Published:2024-02-22
Contact: Hong Zhang E-mail:hongzhang@scu.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 11974253).

摘要/Abstract

摘要： Manganese-based perovskite is popular for research on ferromagnetic materials, and its spectroscopic studies are essential for understanding its electronic structure, dielectric, electrical, and magnetic properties. In this paper, the M-edge spectra of La ions and the M-edge, L-edge, and K-edge spectra of Mn ions in LaMnO₃ are calculated by considering both the free-ion multiplet calculation and the crystal field effects. We analyze spectral shapes, identify peak origins, and estimate the oxidation states of La and Mn ions in LaMnO₃ theoretically. It is concluded that La ions in LaMnO₃ predominantly exist in the trivalent state, while Mn ions exist primarily in the trivalent state with a minor presence of tetravalent ions. Furthermore, the calculated spectra are in better conformity with the experimental spectra when the proportion of Mn³⁺ is 90% and Mn⁴⁺ is 10%. This article enhances our comprehension of the oxidation states of La and Mn within the crystal and also provides a valuable guidance for spectroscopic investigations of other manganates.

关键词: lanthanum manganate, the core level excitation spectra, free-ion multiplet calculation, oxidation state

Abstract: Manganese-based perovskite is popular for research on ferromagnetic materials, and its spectroscopic studies are essential for understanding its electronic structure, dielectric, electrical, and magnetic properties. In this paper, the M-edge spectra of La ions and the M-edge, L-edge, and K-edge spectra of Mn ions in LaMnO₃ are calculated by considering both the free-ion multiplet calculation and the crystal field effects. We analyze spectral shapes, identify peak origins, and estimate the oxidation states of La and Mn ions in LaMnO₃ theoretically. It is concluded that La ions in LaMnO₃ predominantly exist in the trivalent state, while Mn ions exist primarily in the trivalent state with a minor presence of tetravalent ions. Furthermore, the calculated spectra are in better conformity with the experimental spectra when the proportion of Mn³⁺ is 90% and Mn⁴⁺ is 10%. This article enhances our comprehension of the oxidation states of La and Mn within the crystal and also provides a valuable guidance for spectroscopic investigations of other manganates.

Key words: lanthanum manganate, the core level excitation spectra, free-ion multiplet calculation, oxidation state

中图分类号: (X-ray spectra)

32.30.Rj

61.05.cj (X-ray absorption spectroscopy: EXAFS, NEXAFS, XANES, etc.) 78.70.Dm (X-ray absorption spectra)

Fujian Li(李福建), Xinlu Cheng(程新路), and Hong Zhang(张红). Core level excitation spectra of La and Mn ions in LaMnO₃[J]. 中国物理B, 2024, 33(3): 33201-033201.

Fujian Li(李福建), Xinlu Cheng(程新路), and Hong Zhang(张红). Core level excitation spectra of La and Mn ions in LaMnO₃[J]. Chin. Phys. B, 2024, 33(3): 33201-033201.

参考文献

[1] Labhasetwar N, Saravanan G, Megarajan S K, Manwar N, Khobragade R, Doggali P and Grasset F 2015 Sci. Technol. Adv. Mater. 16 036002
[2] Tomar A K, Joshi A, Singh G and Sharma R K 2021 Coord. Chem. Rev. 431 213680
[3] Wang Y, Chen L, Cao H, Chi Z, Chen C, Duan X, Xie Y, Qi F, Song W and Liu J 2019 Appl. Catal. B 245 546
[4] Song L, Zhu Y, Yang Z, Wang C and Lu X 2018 J. Mater. Chem. B 6 5931
[5] El Hannani M D, Rached D, Rabah M, Khenata R, Benayad N, Hichour M and Bouhemadou A 2008 Mater. Sci. Semicond. Process. 11 81
[6] Mefford J T, Hardin W G, Dai S, Johnston K P and Stevenson K J 2014 Nat. Mater. 13 726
[7] Matsumoto G 1970 J. Phys. Soc. Jpn. 29 606
[8] Moritomo Y, Asamitsu A, Kuwahara H and Tokura Y 1996 Nature 380 141
[9] Gibert M, Zubko P, Scherwitzl R, Íñiguez J and Triscone J M 2012 Nat. Mater. 11 195
[10] Murakami Y, Hill J, Gibbs D, Blume M, Koyama I, Tanaka M, Kawata H, Arima T, Tokura Y and Hirota K 1998 Phys. Rev. Lett. 81 582
[11] Elfimov I S, Anisimov V I and Sawatzky G A 1999 Phys. Rev. Lett. 82 4264
[12] Li Y J, Haschaolu W, Wurentuya, Song Z Q, Ou Z Q, Tegus O and Ikuo N 2015 Chin. Phys. B 24 086101
[13] Ravindran P, Kjekshus A, Fjellvåg H, Delin A and Eriksson O 2002 Phys. Rev. B 65 064445
[14] Takahashi M, Igarashi J I and Fulde P 1999 J. Phys. Soc. Jpn. 68 2530
[15] Taguchi M and Altarellli M 2002 Surf. Rev. Lett. 9 1167
[16] Pinjari R V, Delcey M G, Guo M Y, Odelius M and Lundberg M 2014 J. Chem. Phys. 141 124116
[17] Stavitski E and De Groot F M 2010 Micron 41 687
[18] de Groot F M, Elnaggar H, Frati F, Wang R P, Delgado-Jaime M U, van Veenendaal M, Fernandez-Rodriguez J, Haverkort M W, Green R J and van der Laan G 2021 J. Electron Spectrosc. Relat. Phenom. 249 147061
[19] Zhang C, Wang C, Zhan W, Guo Y, Guo Y, Lu G, Baylet A and Giroir-Fendler A 2013 Appl. Catal. B 129 509
[20] Elsiddig Z A, Xu H, Wang D, Zhang W, Guo X, Zhang Y, Sun Z and Chen J 2017 Electrochim. Acta 253 422
[21] Huang J, Teng Z, Kang R, Bin F, Wei X, Hao Q, Hui K N, Hui K S and Dou B 2021 Fuel 292 120289
[22] Mastelaro V R, de Souza D P and Mesquita R A 2002 X-Ray Spectrom. 31 154
[23] Sun Q, Luo X, Xia Q, Guo Y, Su J, Li Q and Miao G 2020 J. Magn. Magn. Mater. 499 166317
[24] Tao Y M, Lin L, Dong S and Liu J M 2012 Chin. Phys. B 21 107502
[25] Horyn R, Sikora A and Bukowska E 2003 J. Alloys Compd. 353 153
[26] Abu-Samak M, Kumar U, Quraishi A, Kumar R, Kumar S, Dalela S, Ahmad M A, Choudhary B and Alvi P 2022 Physica B 628 413562
[27] Pandey S, Bindu R, Kumar A, Khalid S and Pimpale A 2008 Pramana 70 359
[28] Borca C N, Canulescu S, Loviat F, Lippert T, Grolimund D, Dobeli M, Wambach J and Wokaun A 2007 Appl. Surf. Sci. 254 1352
[29] Delcey M G, Lindblad R, Timm M, Bulow C, Zamudio-Bayer V, von Issendorff B, Lau J T and Lundberg M 2022 Phys. Chem. Chem. Phys. 24 3598
[30] Varela M, Oxley M P, Luo W, Tao J, Watanabe M, Lupini A R, Pantelides S T and Pennycook S J 2009 Phys. Rev. B 79 085117
[31] Nishida S, Kobayashi S, Kumamoto A, Ikeno H, Mizoguchi T, Tanaka I, Ikuhara Y and Yamamoto T 2013 J. Appl. Phys. 114 054906
[32] Saitoh T, Bocquet A E, Mizokawa T, Namatame H, Fujimori A, Abbate M, Takeda Y and Takano M 1995 Phys. Rev. B 51 13942
[33] Cho D Y, Kim J Y, Park B G, Rho K J, Park J H, Noh H J, Kim B, Oh S J, Park H M and Ahn J S 2007 Phys. Rev. Lett. 98 217601
[34] Stranick M A 1999 Surf. Sci. Spectra (USA) 6 39
[35] Flores-Lasluisa J X, Huerta E, Cazorla-Amoros D and Moralion E 2022 Energy 247 123456
[36] Gu M F 2008 Can. J. Phys. 86 675
[37] Popovic Z and Satpathy S 2000 Phys. Rev. Lett. 84 1603
[38] Jahn H A and Teller E 1937 Proc. R. Soc. Lond. A-Math. Phys. Sci. 161 220
[39] Oku M, Hirokawa K and Ikeda S 1975 J. Electron Spectrosc. Relat. Phenom. 7 465
[40] Li Y, Guan B, Maclennan A, Hu Y, Li D, Zhao J, Wang Y and Zhang H 2017 Electrochim. Acta 241 395
[41] Bethe H 1929 Ann. Phys. 395 133
[42] Degroot F M F, Fuggle J C, Thole B T and Sawatzky G A 1990 Phys. Rev. B 42 5459
[43] Sen Gupta S, Bradley J A, Haverkort M W, Seidler G T, Tanaka A and Sawatzky G A 2011 Phys. Rev. B 84 075134
[44] Ruotsalainen K O, Sahle C J, Ritschel T, Geck J, Hosoda M, Bell C, Hikita Y, Hwang H Y, Fister T T, Gordon R A, Hamalainen K, Hakala M and Huotari S 2015 J. Phys. Condens. Matter 27 335501
[45] Zhao L Z and Young V 1984 J. Electron Spectrosc. Relat. Phenom. 34 45
[46] Bocquet A E, Fujimori A, Mizokawa T, Saitoh T, Namatame H, Suga S, Kimizuka N, Takeda Y and Takano M 1992 Phys. Rev. B 45 1561
[47] Zhao C, Zhang H and Cheng X 2022 J. Solid State Chem. 311 123145
[48] Ma P, Lei N, Yu B, Liu Y, Jiang G, Dai J, Li S and Lu Q 2019 Nanomaterials 9 1676
[49] Kucharczyk B and Tylus W 2007 Catal. Lett. 115 122
[50] Morales F, de Groot F M F, Glatzel P, Kleimenov E, Bluhm H, Havecker M, Knop-Gericke A and Weckhuysen B M 2004 J. Phys. Chem. B 108 16201
[51] Oishi M, Yamanaka K, Watanabe I, Shimoda K, Matsunaga T, Arai H, Ukyo Y, Uchimoto Y, Ogumi Z and Ohta T 2016 J. Mater. Chem. A 4 9293
[52] Lafuerza S, García J, Subías G, Blasco J and Glatzel P 2016 Phys. Rev. B 93 205108

Core level excitation spectra of La and Mn ions in LaMnO₃

Core level excitation spectra of La and Mn ions in LaMnO₃

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