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Formation of a Polar Ferroelectric Phase in HFO2 Films Depending on Annealing Conditions and Chemical Properties of Impurities HFO2 薄膜中极性铁电相的形成取决于退火条件和杂质的化学性质
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S1063774523601235
A. V. Bugaev, A. S. Konashuk, E. O. Filatova
{"title":"Formation of a Polar Ferroelectric Phase in HFO2 Films Depending on Annealing Conditions and Chemical Properties of Impurities","authors":"A. V. Bugaev,&nbsp;A. S. Konashuk,&nbsp;E. O. Filatova","doi":"10.1134/S1063774523601235","DOIUrl":"10.1134/S1063774523601235","url":null,"abstract":"<p>The Rietveld quantitative phase analysis of the HfO<sub>2</sub> active layer in the Si-sub./SiO<sub>2</sub>/HfO<sub>2</sub>/TiN layered structures has been carried out at different annealing temperatures and dopant types. The HfO<sub>2</sub> crystal structure has been additionally examined by transmission electron microscopy. A relationship between the dopant valence and crystalline phases forming in the HfO<sub>2</sub> film has been found. It is shown that the Al doping followed by high-temperature annealing prevents the formation of the tetragonal phase (sp. gr. <i>P</i>42/<i>nmc</i>) in favor of the formation of the polar orthorhombic phase (sp. gr. <i>Pca</i>2<sub>1</sub>). The results obtained can be used in the synthesis of HfO<sub>2</sub>-based ferroelectric films for non-volatile memory systems.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"16 - 22"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spin-Polarized States in the Electronic Structure of Pt(111) and Graphene/Pt(111) 铂(111)和石墨烯/铂(111)电子结构中的自旋极化态
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S1063774523601247
A. A. Gogina, A. A. Rybkina, A. V. Tarasov, A. M. Shikin, A. G. Rybkin
{"title":"Spin-Polarized States in the Electronic Structure of Pt(111) and Graphene/Pt(111)","authors":"A. A. Gogina,&nbsp;A. A. Rybkina,&nbsp;A. V. Tarasov,&nbsp;A. M. Shikin,&nbsp;A. G. Rybkin","doi":"10.1134/S1063774523601247","DOIUrl":"10.1134/S1063774523601247","url":null,"abstract":"<p>The surface spin-polarized states in the electronic structure of Pt(111) and graphene/Pt(111) have been studied in detail using angle-resolved photoelectron spectroscopy and density functional theory calculations. The results obtained show the presence of cone-shaped surface states near the Fermi level in the vicinity of the <span>(bar {M})</span> point of the surface Brillouin zone of platinum for both systems. Theoretical calculations confirm that these states are spin-polarized surface states of Pt(111) single crystal.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"73 - 78"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616779","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Structure of Domain and Antiphase Boundaries in κ-Phase of Gallium Oxide 氧化镓κ相中的畴界和反相界结构
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S1063774523601302
O. F. Vyvenko, A. S. Bondarenko, E. V. Ubyivovk, S. V. Shapenkov, A. I. Pechnikov, V. I. Nikolaev, S. I. Stepanov
{"title":"The Structure of Domain and Antiphase Boundaries in κ-Phase of Gallium Oxide","authors":"O. F. Vyvenko,&nbsp;A. S. Bondarenko,&nbsp;E. V. Ubyivovk,&nbsp;S. V. Shapenkov,&nbsp;A. I. Pechnikov,&nbsp;V. I. Nikolaev,&nbsp;S. I. Stepanov","doi":"10.1134/S1063774523601302","DOIUrl":"10.1134/S1063774523601302","url":null,"abstract":"<p>The results of an experimental study of the real structure of thin films of κ-phase gallium oxide are reported. It has been established by electron backscattering diffraction in a scanning electron microscope and by transmission electron microscopy that gallium oxide single microcrystals consist of three types of rotating domains of the orthorhombic symmetry, which are rotated relative to each other around the growth axis by an angle of 120°. Single-crystal domains are characterized by a high density of straight antiphase boundaries, which, when intersecting, form a significant fraction of the domain wall structure.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"23 - 28"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Study of the Effect of Si and Be Barrier Layers on Crystallization of Cr/Sc Multilayer X-ray Mirror 研究硅和铍阻挡层对 Cr/Sc 多层 X 射线镜结晶的影响
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S1063774523601284
A. V. Solomonov, S. S. Sakhonenkov, E. O. Filatova
{"title":"Study of the Effect of Si and Be Barrier Layers on Crystallization of Cr/Sc Multilayer X-ray Mirror","authors":"A. V. Solomonov,&nbsp;S. S. Sakhonenkov,&nbsp;E. O. Filatova","doi":"10.1134/S1063774523601284","DOIUrl":"10.1134/S1063774523601284","url":null,"abstract":"<p>The influence of Si and Be barrier layers on the mixing of thin layers of multilayer X-ray mirrors based on Cr and Sc in a wide temperature range has been studied by X-ray reflectivity, X-ray diffraction, and transmission electron microscopy. Annealing of the Si/[Cr/Sc]<sub>200</sub> system is found to be a catalyst of the mixing process. Complete mixing of layers occurs in a sample heated at 450°C for 1 h. The structure becomes textured with a preferred orientation [001] of the Sc layer perpendicular to the substrate. Introduction of a Be barrier layer into the Si/[Cr/Sc]<sub>200</sub> system limits mixing of chromium and scandium layers during annealing to 350°C, but the structure degrades completely at 450°C. A beryllium barrier layer excludes texturing and growth of grains in the system, but it does not impede crystallization. The thin Si interlayer inserted between Cr and Sc layers limits their mixing and retains the multilayer character and amorphicity of the system at temperatures up to 450°C.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"58 - 64"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616570","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Specific Features of the Crystal Structure of Calcium Hydroxyapatite in Native Bone Tissue 原生骨组织中羟基磷灰石钙晶体结构的具体特征
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S1063774523601326
A. A. Pavlychev, X. O. Brykalova, A. V. Korneev, A. A. Cherny, N. N. Kornilov
{"title":"Specific Features of the Crystal Structure of Calcium Hydroxyapatite in Native Bone Tissue","authors":"A. A. Pavlychev,&nbsp;X. O. Brykalova,&nbsp;A. V. Korneev,&nbsp;A. A. Cherny,&nbsp;N. N. Kornilov","doi":"10.1134/S1063774523601326","DOIUrl":"10.1134/S1063774523601326","url":null,"abstract":"<p>The effects of physiological and pathogenic factors on the crystal structure of calcium hydroxyapatite Ca<sub>10</sub>(PO<sub>4</sub>)<sub>6</sub>(OH)<sub>2</sub> in mineralized bone tissues are considered. The unit cell constants of bioapatite, the unit cell deformation, and the crystallite sizes in different groups of bone tissues were analyzed based on the results of X-ray diffraction studies. The main mechanisms responsible for spatial-temporal changes in bone nanostructures were revealed. It was demonstrated that, along with violations of the stoichiometry, an important role is played by the crystallite sizes, estimated as the coherent scattering regions, the number of atoms in which differs by more than two orders of magnitude, and electrostatic interactions between the unbalanced charges of nanocrystallites and hydrated nanolayers of the mineral matrix.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"38 - 44"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616400","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electron-Beam-Stimulated Formation of Luminescent Carbon Complexes in Hexagonal Boron Nitride 电子束刺激下六方氮化硼中发光碳复合物的形成
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S106377452360120X
Yu. V. Petrov, O. F. Vyvenko, O. A. Gogina, S. Kovalchuk, K. Bolotin
{"title":"Electron-Beam-Stimulated Formation of Luminescent Carbon Complexes in Hexagonal Boron Nitride","authors":"Yu. V. Petrov,&nbsp;O. F. Vyvenko,&nbsp;O. A. Gogina,&nbsp;S. Kovalchuk,&nbsp;K. Bolotin","doi":"10.1134/S106377452360120X","DOIUrl":"10.1134/S106377452360120X","url":null,"abstract":"<p>The change in the intensity of cathodoluminescence of hexagonal boron nitride in the short-wavelength spectral region upon electron beam excitation is investigated. It is shown that the intensity of the peak at a wavelength of 215 nm, associated with the band-to-band transitions, decreases during electron excitation and tends to a stationary value, whereas the intensity of the peak at 320 nm increases under electron irradiation. This band is likely caused by the formation of luminescence centers under electron irradiation.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"53 - 57"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616782","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Editor-in-Chief’s Column 主编专栏
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S1063774523601387
V. A. Dmitriev
{"title":"Editor-in-Chief’s Column","authors":"V. A. Dmitriev","doi":"10.1134/S1063774523601387","DOIUrl":"10.1134/S1063774523601387","url":null,"abstract":"","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"1 - 1"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142411993","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Adsorption of Molecular Oxygen on N-graphene 分子氧在 N-石墨烯上的吸附作用
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S1063774523601314
K. A. Bokai, O. Yu. Vilkov, D. Yu. Usachov
{"title":"Adsorption of Molecular Oxygen on N-graphene","authors":"K. A. Bokai,&nbsp;O. Yu. Vilkov,&nbsp;D. Yu. Usachov","doi":"10.1134/S1063774523601314","DOIUrl":"10.1134/S1063774523601314","url":null,"abstract":"<p>The adsorption and dissociation of molecular oxygen on the surface of N-graphene/Au/Ni(111) epitaxial system with high crystalline quality of N-graphene have been investigated. The system is formed in such a way that nitrogen impurities in it are exclusively represented by graphitic and pyridinic configurations in equal concentrations. Using X-ray photoelectron spectroscopy and density functional theory calculations, the relationship between the chemical shift of the N 1<i>s</i> core level caused by the adsorption of molecular oxygen and the atomic position of individual oxygen atoms after molecular dissociation has been established.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"102 - 108"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616575","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electronic Structure of the [Cu(Salen)] Complex and the Chemical State of Its Atoms Studied by Photoelectron Spectroscopy and Quantum-Chemical Calculations 通过光电子能谱和量子化学计算研究[Cu(Salen)]配合物的电子结构及其原子的化学状态
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S106377452360117X
P. M. Korusenko, A. V. Koroleva, A. A. Vereshchagin, K. P. Katin, O. V. Petrova, D. V. Sivkov, O. V. Levin, A. S. Vinogradov
{"title":"Electronic Structure of the [Cu(Salen)] Complex and the Chemical State of Its Atoms Studied by Photoelectron Spectroscopy and Quantum-Chemical Calculations","authors":"P. M. Korusenko,&nbsp;A. V. Koroleva,&nbsp;A. A. Vereshchagin,&nbsp;K. P. Katin,&nbsp;O. V. Petrova,&nbsp;D. V. Sivkov,&nbsp;O. V. Levin,&nbsp;A. S. Vinogradov","doi":"10.1134/S106377452360117X","DOIUrl":"10.1134/S106377452360117X","url":null,"abstract":"<p>The electronic structure of the [Cu(Salen)] complex was studied and the chemical state of its atoms was characterized by X-ray and ultraviolet photoelectron spectroscopy combined with density functional theory calculations. It was found that the presence of a complexing Cu atom leads to the electron density redistribution not only on the nitrogen and oxygen atoms involved in the CuO<sub>2</sub>N<sub>2</sub> coordination center but also on the carbon atoms of the salen ligand. The valence orbitals of the atoms of the CuO<sub>2</sub>N<sub>2</sub> coordination center were found to make the predominant contribution to the highest occupied molecular orbital, and the 3<i>d</i> atomic orbitals of Cu were shown to be distributed over molecular orbitals in the binding energy ranges of 2–4 and 6–11 eV.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"29 - 37"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616579","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of Surface Magnetism in Systems Based on MnBi2Te4 Using the Magneto-Optical Kerr Effect 利用磁光克尔效应研究基于 MnBi2Te4 的系统中的表面磁性
IF 0.6 4区 材料科学
Crystallography Reports Pub Date : 2024-04-16 DOI: 10.1134/S1063774523601296
D. A. Glazkova, D. A. Estyunin, A. S. Tarasov, N. N. Kosyrev, V. A. Komarov, G. S. Patrin, V. A. Golyashov, O. E. Tereshchenko, K. A. Kokh, A. V. Koroleva, A. M. Shikin
{"title":"Investigation of Surface Magnetism in Systems Based on MnBi2Te4 Using the Magneto-Optical Kerr Effect","authors":"D. A. Glazkova,&nbsp;D. A. Estyunin,&nbsp;A. S. Tarasov,&nbsp;N. N. Kosyrev,&nbsp;V. A. Komarov,&nbsp;G. S. Patrin,&nbsp;V. A. Golyashov,&nbsp;O. E. Tereshchenko,&nbsp;K. A. Kokh,&nbsp;A. V. Koroleva,&nbsp;A. M. Shikin","doi":"10.1134/S1063774523601296","DOIUrl":"10.1134/S1063774523601296","url":null,"abstract":"<p>MnBi<sub>2</sub>Te<sub>4</sub>, Mn(Bi,Sb)<sub>2</sub>Te<sub>4</sub>, and MnBi<sub>2</sub>Te<sub>4</sub>(Bi<sub>2</sub>Te<sub>3</sub>)<sub><i>m</i></sub> (<i>m</i> ≥ 1) are assigned to magnetic topological insulators. Successful application of these materials in nanoelectronic devices calls for comprehensive investigation of their electronic structure and magnetic properties in dependence of the Bi/Sb atomic ratio and the number <i>m</i> of Bi<sub>2</sub>Te<sub>3</sub> blocks. The magnetic properties of the surface of MnBi<sub>2</sub>Te<sub>4</sub>, MnBi<sub>4</sub>Te<sub>7</sub>, and Mn(Bi<span>(_{{1-x}})</span>Sb<sub><i>x</i></sub>)<sub>2</sub>Te<sub>4</sub> compounds (<i>x</i> = 0.43 and 0.32) have been studied using the magneto-optical Kerr effect. It is shown that the temperatures of magnetic transitions on the surface and in the bulk of MnBi<sub>4</sub>Te<sub>7</sub> and Mn(Bi, Sb)<sub>2</sub>Te<sub>4</sub> differ significantly.</p>","PeriodicalId":527,"journal":{"name":"Crystallography Reports","volume":"69 1","pages":"79 - 84"},"PeriodicalIF":0.6,"publicationDate":"2024-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140616778","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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