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We present herein an emission M\u00f6ssbauer spectroscopy (eMS) study of the electric-field gradient (EFG) anisotropy in crystalline free-standing \u03b1-MoO3 samples. Although \u03b1-MoO3 is a two-dimensional (2D) material, scanning electron microscopy shows that the crystals are 0.5\u20135-\u00b5m thick. The combination of X-ray diffraction and micro-Raman spectroscopy, performed after sample preparation, provided evidence of the phase purity and crystal quality of the samples. The eMS measurements were conducted following the implantation of 57Mn (t1\/2 = 1.5 min), which decays to the 57Fe, 14.4 keV M\u00f6ssbauer state. The eMS spectra of the samples are dominated by a paramagnetic doublet (D1) with an angular dependence, pointing to the Fe2+ probe ions being in a crystalline environment. It is attributed to an asymmetric EFG at the eMS probe site originating from strong in-plane covalent bonds and weak out-of-plane van der Waals interactions in the 2D material. Moreover, a second broad component, D2, can be assigned to Fe3+ defects that are dynamically generated during the online measurements. The results are compared to ab initio simulations and are discussed in terms of the in-plane and out-of-plane interactions in the system.<\/jats:p>","DOI":"10.3390\/cryst12070942","type":"journal-article","created":{"date-parts":[[2022,7,4]],"date-time":"2022-07-04T11:15:05Z","timestamp":1656933305000},"page":"942","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":2,"title":["Anisotropy of the Electric Field Gradient in Two-Dimensional \u03b1-MoO3 Investigated by 57Mn(57Fe) Emission M\u00f6ssbauer Spectroscopy"],"prefix":"10.3390","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-2186-5321","authenticated-orcid":false,"given":"Juliana","family":"Schell","sequence":"first","affiliation":[{"name":"European Organization for Nuclear Research (CERN), 1211 Geneva, Switzerland"},{"name":"Institute for Materials Science and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, 45141 Essen, Germany"}]},{"given":"Dmitry","family":"Zyabkin","sequence":"additional","affiliation":[{"name":"Chair Materials for Electrical Engineering and Electronics, Institute of Materials Science and Engineering, Institute of Micro and Nanotechnologies MacroNano<sup>\u00ae<\/sup>, TU Ilmenau, Gustav-Kirchhoff-Strasse 5, 98693 Ilmenau, Germany"}]},{"given":"Krish","family":"Bharuth-Ram","sequence":"additional","affiliation":[{"name":"School of Chemistry and Physics, University of KwaZulu-Natal, Durban 4001, South Africa"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-9057-378X","authenticated-orcid":false,"given":"Jo\u00e3o N.","family":"Gon\u00e7alves","sequence":"additional","affiliation":[{"name":"CICECO\u2014Aveiro Institute of Materials and Departamento de F\u00edsica, Universidade de Aveiro, 3810-193 Aveiro, Portugal"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8151-6302","authenticated-orcid":false,"given":"Carlos","family":"D\u00edaz-Guerra","sequence":"additional","affiliation":[{"name":"Departmento F\u00edsica de Materiales, Facultad de Ciencias F\u00edsicas, Universidad Complutense de Madrid, 28040 Madrid, Spain"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8958-0245","authenticated-orcid":false,"given":"Haraldur P.","family":"Gunnlaugsson","sequence":"additional","affiliation":[{"name":"Science Institute, University of Iceland, Dunhaga 3, 107 Reykjav\u00edk, Iceland"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3078-4649","authenticated-orcid":false,"given":"Aitana Tarazaga","family":"Mart\u00edn-Luengo","sequence":"additional","affiliation":[{"name":"Quantum Materials Group, Institute for Semiconductor and Solid State Physics, Johannes Kepler University, Altenbergerstr. 69, 4040 Linz, Austria"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8802-6621","authenticated-orcid":false,"given":"Peter","family":"Schaaf","sequence":"additional","affiliation":[{"name":"Chair Materials for Electrical Engineering and Electronics, Institute of Materials Science and Engineering, Institute of Micro and Nanotechnologies MacroNano<sup>\u00ae<\/sup>, TU Ilmenau, Gustav-Kirchhoff-Strasse 5, 98693 Ilmenau, Germany"}]},{"given":"Alberta","family":"Bonanni","sequence":"additional","affiliation":[{"name":"Quantum Materials Group, Institute for Semiconductor and Solid State Physics, Johannes Kepler University, Altenbergerstr. 69, 4040 Linz, Austria"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-4722-9622","authenticated-orcid":false,"given":"Hilary","family":"Masenda","sequence":"additional","affiliation":[{"name":"School of Physics, University of the Witwatersrand, Johannesburg 2050, South Africa"},{"name":"Faculty of Physics and Materials Sciences Center, Philipps-Universit\u00e4t Marburg, 35032 Marburg, Germany"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9633-5654","authenticated-orcid":false,"given":"Thien Thanh","family":"Dang","sequence":"additional","affiliation":[{"name":"Institute for Materials Science and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, 45141 Essen, Germany"}]},{"given":"Torben E.","family":"M\u00f8lholt","sequence":"additional","affiliation":[{"name":"European Organization for Nuclear Research (CERN), 1211 Geneva, Switzerland"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3104-1142","authenticated-orcid":false,"given":"Sveinn","family":"\u00d3lafsson","sequence":"additional","affiliation":[{"name":"Science Institute, University of Iceland, Dunhaga 3, 107 Reykjav\u00edk, Iceland"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3506-0954","authenticated-orcid":false,"given":"Iraultza","family":"Unzueta","sequence":"additional","affiliation":[{"name":"Department of Applied Mathematics, University of the Basque Country (UPV\/EHU), Torres Quevedo Ingeniaria Plaza 1, 48013 Bilbao, Spain"}]},{"given":"Roberto","family":"Mantovan","sequence":"additional","affiliation":[{"name":"CNR-IMM, Unit of Agrate Brianza, Via Olivetti 2, 20864 Agrate Brianza (MB), Italy"}]},{"given":"Karl","family":"Johnston","sequence":"additional","affiliation":[{"name":"European Organization for Nuclear Research (CERN), 1211 Geneva, Switzerland"}]},{"given":"Hafli\u00f0i P.","family":"G\u00edslason","sequence":"additional","affiliation":[{"name":"Science Institute, University of Iceland, Dunhaga 3, 107 Reykjav\u00edk, Iceland"}]},{"given":"Petko B.","family":"Krastev","sequence":"additional","affiliation":[{"name":"Institute for Nuclear Research and Nuclear Energy, Bulgarian Academy of Sciences, 72 Tsarigradsko Chaussee Boulevard, 1784 Sofia, Bulgaria"}]},{"given":"Deena","family":"Naidoo","sequence":"additional","affiliation":[{"name":"School of Physics, University of the Witwatersrand, Johannesburg 2050, South 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Mater. Interfaces"},{"key":"ref_2","doi-asserted-by":"crossref","first-page":"712","DOI":"10.1002\/1439-7641(20011217)2:12<712::AID-CPHC712>3.0.CO;2-H","article-title":"EPR monitoring of redox processes in transition metal oxide catalysts","volume":"2","author":"Labanowska","year":"2001","journal-title":"Chem. Phys. Chem."},{"key":"ref_3","doi-asserted-by":"crossref","first-page":"368","DOI":"10.1016\/j.cplett.2005.03.116","article-title":"Gas sensing properties of MoO3 nanorods to CO and CH3OH","volume":"407","author":"Comini","year":"2005","journal-title":"Chem. Phys. Lett."},{"key":"ref_4","doi-asserted-by":"crossref","first-page":"1835","DOI":"10.1002\/adma.200305528","article-title":"Large-area nanowire arrays of molybdenum and molybdenum oxides: Synthesis and field emission properties","volume":"15","author":"Zhou","year":"2003","journal-title":"Adv. Mater."},{"key":"ref_5","doi-asserted-by":"crossref","first-page":"2376","DOI":"10.1039\/C4CS00350K","article-title":"Nanostructured Mo-based electrode materials for electrochemical energy storage","volume":"44","author":"Hu","year":"2015","journal-title":"Chem. Soc. Rev."},{"key":"ref_6","doi-asserted-by":"crossref","first-page":"624","DOI":"10.1038\/355624a0","article-title":"Photochromism induced in an electrolytically pretreated MoO3 thin film by visible light","volume":"355","author":"Yao","year":"1992","journal-title":"Nature"},{"key":"ref_7","doi-asserted-by":"crossref","first-page":"83","DOI":"10.1007\/s12034-022-02664-x","article-title":"Study on structural and optical properties of thermally evaporated MoO3 thin films","volume":"45","author":"Madhuri","year":"2022","journal-title":"Bull. Mater. Sci."},{"key":"ref_8","doi-asserted-by":"crossref","first-page":"7131","DOI":"10.1038\/srep07131","article-title":"Impact of lattice distortion and electron doping on \u03b1-MoO3 electronic structure","volume":"4","author":"Huang","year":"2014","journal-title":"Sci. Rep."},{"key":"ref_9","doi-asserted-by":"crossref","first-page":"5745","DOI":"10.1039\/c0jm03815f","article-title":"Indium-doped molybdenum oxide as a new p-type transparent conductive oxide","volume":"21","author":"Chen","year":"2011","journal-title":"Mater. Chem."},{"key":"ref_10","doi-asserted-by":"crossref","first-page":"355105","DOI":"10.1088\/0022-3727\/47\/35\/355105","article-title":"Intense luminescence emission from rare-earth doped MoO3 nanoplates and lamellar crystals for optoelectronic applications","volume":"47","author":"Vila","year":"2014","journal-title":"J. Phys. D Appl. Phys."},{"key":"ref_11","doi-asserted-by":"crossref","first-page":"15","DOI":"10.1016\/j.actamat.2019.02.029","article-title":"Engineering strain and conductivity of MoO3 by ion implantation","volume":"169","author":"Pereira","year":"2019","journal-title":"Acta Mater."},{"key":"ref_12","doi-asserted-by":"crossref","first-page":"50","DOI":"10.1016\/j.surfcoat.2018.01.034","article-title":"Electrical characterization of molybdenum oxide lamellar crystals irradiated with UV light and proton beams","volume":"355","author":"Pereira","year":"2018","journal-title":"Surf. Coat. Technol."},{"key":"ref_13","doi-asserted-by":"crossref","first-page":"C1-387","DOI":"10.1051\/jphyscol:19801148","article-title":"M\u00f6ssbauer study of molybdenum oxidation kinetics","volume":"41","author":"Zhetbaev","year":"1980","journal-title":"J. Phys. Colloq."},{"key":"ref_14","doi-asserted-by":"crossref","first-page":"138389","DOI":"10.1016\/j.tsf.2020.138389","article-title":"Metal-insulator transition in crystalline V2O3 thin films probed at atomic scale using emission M\u00f6ssbauer spectroscopy","volume":"714","author":"Qi","year":"2020","journal-title":"Thin Solid Films"},{"key":"ref_15","doi-asserted-by":"crossref","first-page":"7511","DOI":"10.1021\/acs.jpcc.0c00085","article-title":"Experimental and theoretical study of electronic and hyperfine properties of hydrogenated anatase (TiO2): Defect interplay and thermal stability","volume":"124","author":"Zyabkin","year":"2020","journal-title":"J. Phys. Chem. C."},{"key":"ref_16","doi-asserted-by":"crossref","first-page":"221","DOI":"10.1007\/BF01027252","article-title":"Isomer shift reference scales","volume":"13","author":"Stevens","year":"1983","journal-title":"Hyperfine Interact."},{"key":"ref_17","doi-asserted-by":"crossref","first-page":"2563","DOI":"10.1021\/acs.chemmater.6b04479","article-title":"Controlling n-type doping in MoO3","volume":"29","author":"Peelaers","year":"2017","journal-title":"Chem. Mater."},{"key":"ref_18","doi-asserted-by":"crossref","first-page":"17","DOI":"10.1016\/j.snb.2012.01.042","article-title":"Facile synthesis and enhanced H2S sensing performances of Fe-doped \u03b1-MoO3 micro-structures","volume":"169","author":"Ouyang","year":"2012","journal-title":"Sens. Actuators B Chem."},{"key":"ref_19","doi-asserted-by":"crossref","first-page":"083905","DOI":"10.1063\/1.3703669","article-title":"Effect of oxygen partial pressure and Fe doping on growth and properties of metallic and insulating molybdenum oxide thin films","volume":"111","author":"Tiwari","year":"2012","journal-title":"J. Appl. Phys."},{"key":"ref_20","doi-asserted-by":"crossref","first-page":"371","DOI":"10.1023\/A:1012693229011","article-title":"M\u00f6ssbauer spectroscopy at ISOLDE","volume":"129","author":"Weyer","year":"2000","journal-title":"Hyperfine Interact."},{"key":"ref_21","doi-asserted-by":"crossref","first-page":"1","DOI":"10.1007\/s10751-008-9607-y","article-title":"Defects in semiconductors\u2014results from M\u00f6ssbauer spectroscopy","volume":"177","author":"Weyer","year":"2007","journal-title":"Hyperfine Interact."},{"key":"ref_22","doi-asserted-by":"crossref","first-page":"104001","DOI":"10.1088\/1361-6471\/aa81ac","article-title":"The solid state physics programme at ISOLDE: Recent developments and perspectives","volume":"44","author":"Johnston","year":"2017","journal-title":"J. Phys. G Nucl. Part. Phys."},{"key":"ref_23","doi-asserted-by":"crossref","first-page":"094002","DOI":"10.1088\/1361-6471\/aa7eba","article-title":"The ISOLDE facility","volume":"44","author":"Catherall","year":"2017","journal-title":"J. Phys. G Nucl. Part. Phys."},{"key":"ref_24","doi-asserted-by":"crossref","first-page":"8234","DOI":"10.1038\/s41598-017-08275-5","article-title":"Atomic-scale study of the amorphous-to-crystalline phase transition mechanism in GeTe thin films","volume":"7","author":"Mantovan","year":"2017","journal-title":"Sci. Rep."},{"key":"ref_25","doi-asserted-by":"crossref","first-page":"1818","DOI":"10.1016\/j.nimb.2010.02.091","article-title":"SRIM\u2014The Stopping and Range of Ions in Matter","volume":"B268","author":"Ziegler","year":"2010","journal-title":"Nucl. Instr. Meth."},{"key":"ref_26","doi-asserted-by":"crossref","first-page":"11169","DOI":"10.1103\/PhysRevB.54.11169","article-title":"Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set","volume":"54","author":"Kresse","year":"1996","journal-title":"Phys. Rev. B"},{"key":"ref_27","doi-asserted-by":"crossref","first-page":"17953","DOI":"10.1103\/PhysRevB.50.17953","article-title":"Projector augmented-wave method","volume":"50","year":"1994","journal-title":"Phys. Rev. B"},{"key":"ref_28","doi-asserted-by":"crossref","first-page":"3865","DOI":"10.1103\/PhysRevLett.77.3865","article-title":"Generalized gradient approximation made simple","volume":"77","author":"Perdew","year":"1996","journal-title":"Phys. Rev. Lett."},{"key":"ref_29","doi-asserted-by":"crossref","first-page":"1505","DOI":"10.1103\/PhysRevB.57.1505","article-title":"Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA + U study","volume":"57","author":"Dudarev","year":"1998","journal-title":"Phys. Rev. B"},{"key":"ref_30","doi-asserted-by":"crossref","first-page":"393","DOI":"10.1016\/S0022-0248(97)00493-4","article-title":"Vapour phase growth of orthorhombic molybdenum trioxide crystals at normal pressure of purified air","volume":"186","author":"Zheng","year":"1998","journal-title":"J. Cryst. Growth"},{"key":"ref_31","doi-asserted-by":"crossref","first-page":"370","DOI":"10.1016\/0378-4363(81)90278-3","article-title":"Intra- and interlayer contributions to the lattice vibrations in MoO3","volume":"105","author":"Py","year":"1981","journal-title":"Physica B+C"},{"key":"ref_32","doi-asserted-by":"crossref","first-page":"812","DOI":"10.1039\/b107012f","article-title":"Raman spectroscopy of molybdenum oxides: Part I. Structural characterization of oxygen defects in MoO3\u2212x by DR UV\/VIS, Raman spectroscopy and x-ray diffraction","volume":"4","author":"Dieterle","year":"2002","journal-title":"Phys. Chem. Chem. Phys."},{"key":"ref_33","doi-asserted-by":"crossref","first-page":"2339","DOI":"10.1039\/C7CE00242D","article-title":"Effects of thermal annealing on the structural and electronic properties of rare earth-implanted MoO3 nanoplates","volume":"19","author":"Vila","year":"2017","journal-title":"CrystEngComm"},{"key":"ref_34","first-page":"014006","article-title":"ISOLDE Collaboration. Spin-lattice relaxations of paramagnetic Fe3+ in ZnO","volume":"2012","author":"Gunnlaugsson","year":"2012","journal-title":"Phys. Scr."},{"key":"ref_35","doi-asserted-by":"crossref","first-page":"89","DOI":"10.1007\/s10751-010-0214-3","article-title":"Observation of spin-lattice relaxations of dilute Fe3+ in MgO by M\u00f6ssbauer spectroscopy","volume":"197","author":"Mantovan","year":"2010","journal-title":"Hyperfine Interact."},{"key":"ref_36","doi-asserted-by":"crossref","first-page":"851","DOI":"10.1007\/s10751-006-9380-8","article-title":"A simple model to extract hyperfine interaction distributions from M\u00f6ssbauer spectra","volume":"167","author":"Gunnlaugsson","year":"2006","journal-title":"Hyperfine Interact."},{"key":"ref_37","doi-asserted-by":"crossref","first-page":"79","DOI":"10.1007\/s10751-016-1271-z","article-title":"Spreadsheet based analysis of M\u00f6ssbauer spectra","volume":"237","author":"Gunnlaugsson","year":"2016","journal-title":"Hyperfine Interact."},{"key":"ref_38","doi-asserted-by":"crossref","unstructured":"G\u00fctlich, P., Bill, E., and Trautwein, A.X. (2011). M\u00f6ssbauer Spectroscopy and Transition Metal Chemistry: Fundamentals and Applications, Springer.","DOI":"10.1007\/978-3-540-88428-6"},{"key":"ref_39","doi-asserted-by":"crossref","first-page":"158","DOI":"10.1107\/S0021889804031231","article-title":"Comparative evaluation of the march and generalized spherical harmonic preferred orientation models using X-ray diffraction data for molybdite and calcite powders","volume":"38","author":"Sitepu","year":"2005","journal-title":"J. Appl. Crystallogr."},{"key":"ref_40","doi-asserted-by":"crossref","first-page":"1272","DOI":"10.1107\/S0021889811038970","article-title":"VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data","volume":"44","author":"Momma","year":"2011","journal-title":"J. Appl. Crystallogr."},{"key":"ref_41","doi-asserted-by":"crossref","first-page":"557","DOI":"10.1038\/s41586-018-0618-9","article-title":"In-plane anisotropic and ultra-low-loss polaritons in a natural van der Waals crystal","volume":"562","author":"Ma","year":"2018","journal-title":"Nature"},{"key":"ref_42","doi-asserted-by":"crossref","unstructured":"Greenwood, N.N., and Gibb, T.C. (1971). M\u00f6ssbauer Spectroscopy, Chapman and Hall.","DOI":"10.1007\/978-94-009-5697-1"},{"key":"ref_43","doi-asserted-by":"crossref","first-page":"155118-1","DOI":"10.1103\/PhysRevB.76.155118","article-title":"Calibration of the isomer shift for the 14.4-keV transition in 57Fe using the full-potential linearized augmented plane-wave method","volume":"76","author":"Wdowik","year":"2007","journal-title":"Phys. Rev. B"},{"key":"ref_44","doi-asserted-by":"crossref","first-page":"074101","DOI":"10.1063\/1.5143061","article-title":"WIEN2k: An APW+lo program for calculating the properties of solids","volume":"152","author":"Blaha","year":"2020","journal-title":"J. Chem. Phys."},{"key":"ref_45","doi-asserted-by":"crossref","first-page":"2471","DOI":"10.1103\/PhysRevLett.55.2471","article-title":"Unified approach for molecular dynamics and density-functional theory","volume":"55","author":"Car","year":"1985","journal-title":"Phys. Rev. Lett."},{"key":"ref_46","doi-asserted-by":"crossref","first-page":"065501-1","DOI":"10.1088\/0022-3727\/47\/6\/065501","article-title":"ISOLDE Collaboration. Defect annealing in Mn\/Fe-implanted TiO2 (rutile)","volume":"47","author":"Gunnlaugsson","year":"2014","journal-title":"J. Phys. D Appl. Phys."},{"key":"ref_47","doi-asserted-by":"crossref","first-page":"042109-1","DOI":"10.1063\/1.3679692","article-title":"ISOLDE Collaboration. Lattice locations and properties of Fe in Co\/Fe co-implanted ZnO","volume":"100","author":"Gunnlaugsson","year":"2012","journal-title":"Appl. Phys. Lett."},{"key":"ref_48","unstructured":"Schell, J., Correia, J.G.M., Lorenz, K., Peres, M., D\u00edaz-Guerra, C., Gunnlaugsson, H.P., Tarazaga, A., and Deicher, M. (2022, May 31). Study of Molybdenum Oxide by Means of Perturbed Angular Correlations and M\u00f6ssbauer Spectroscopy. Available online: https:\/\/cds.cern.ch\/record\/2119980\/files\/INTC-P-454.pdf."}],"container-title":["Crystals"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/www.mdpi.com\/2073-4352\/12\/7\/942\/pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,10,10]],"date-time":"2025-10-10T23:42:41Z","timestamp":1760139761000},"score":1,"resource":{"primary":{"URL":"https:\/\/www.mdpi.com\/2073-4352\/12\/7\/942"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2022,7,4]]},"references-count":48,"journal-issue":{"issue":"7","published-online":{"date-parts":[[2022,7]]}},"alternative-id":["cryst12070942"],"URL":"https:\/\/doi.org\/10.3390\/cryst12070942","relation":{},"ISSN":["2073-4352"],"issn-type":[{"type":"electronic","value":"2073-4352"}],"subject":[],"published":{"date-parts":[[2022,7,4]]}}}