Zeitschrift Fur Kristallographie-Crystalline Materials最新文献_第8页

Formation and stability of Rh2Cd5 and its strucural correlation with RhCd and Rh3Cd5−δ (δ ∼ 0.56) Rh2Cd5的形成、稳定性及其与RhCd和Rh3Cd5−δ的结构相关性(δ ~ 0.56)

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-04-25 DOI: 10.1515/zkri-2022-0008

Nilanjan Roy, B. Koley, Harshit, P. Jana

引用次数: 0

High-temperature behavior and structural studies on Ca14Al10Zn6O35 Ca14Al10Zn6O35的高温行为及结构研究

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-04-25 DOI: 10.1515/zkri-2022-0014

V. Kahlenberg, H. Krüger

{"title":"High-temperature behavior and structural studies on Ca14Al10Zn6O35","authors":"V. Kahlenberg, H. Krüger","doi":"10.1515/zkri-2022-0014","DOIUrl":"https://doi.org/10.1515/zkri-2022-0014","url":null,"abstract":"Abstract Single-crystals of Ca14Al10Zn6O35 suitable for structural investigations were grown from slow cooling of a melt with the same chemical composition in the range between 1300 and 1000 °C. Diffraction experiments performed at ambient temperature yielded the following crystallographic data: space group F23, a = 14.8468 (6) Å, V = 3272.6 (2) Å3, Z = 4. Structure determination and subsequent least‐squares refinements resulted in a residual of R(|F|) = 1.49% for 753 independent observed reflections and 55 parameters. The chiral structure is based on a tetrahedral framework of corner sharing (Zn,Al)O4-tetrahedra. Zn–Al-distributions among the four crystallographically independent T-sites have been studied. A detailed topological analysis based on natural tiles is presented. Actually, the net can be constructed from a total of four different cages (tiles). The largest cavities (face symbol: [316. 616]) have volumes of about 680 Å3 and host [AlO6][Ca14O36] heteropolyhedral clusters consisting of a central [AlO6] – octahedron surrounded by [CaO6]- and [CaO7]-groups. The calcium cations provide linkage to the tetrahedral framework, in other words, the [AlO6]-unit in the barycenter of the cluster is not directly connected to the framework. Furthermore, thermal expansion has been studied in the interval between 25 and 790 °C using in-situ high‐temperature single‐crystal diffraction. No indications for a structural phase transition were observed. From the evolution of the lattice parameters the thermal expansion tensor has been obtained. The response of the structure to variable temperature has been discussed.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"237 1","pages":"219 - 232"},"PeriodicalIF":1.2,"publicationDate":"2022-04-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46882058","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

Bärnighausen Trees – A group–subgroup reference database Bärnighausen Trees—组-子组参考数据库

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-04-18 DOI: 10.1515/zkri-2022-0021

T. Block, S. Seidel, R. Pöttgen

引用次数: 4

Structural, Hirshfeld Surface and HOMO-LUMO gap analysis of five co-crystals of 2-amino-5-chloropyridine or 2-amino-bromopyridine with isomeric methylbenzoic acids 2-氨基-5-氯吡啶或2-氨基-溴吡啶与异构体甲基苯甲酸共晶的结构、Hirshfeld表面和HOMO-LUMO间隙分析

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-04-12 DOI: 10.1515/zkri-2021-2061

M. Rosli, N. C. Khalib, K. Thanigaimani, S. Arshad, I. A. Razak

引用次数: 0

Economics of Aging: New Insights. 老龄经济学：新见解。

IF 6.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-04-01 DOI: 10.1093/geronb/gbac047

Christine E Bishop

引用次数: 0

Peierls distortion of the cobalt chain in the low-temperature structure of CoIn2 co_2低温结构中钴链的Peierls畸变

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-03-28 DOI: 10.1515/zkri-2022-0020

N. Gulay, Jutta Kösters, Y. Kalychak, S. Matar, Alfred Rabenbauer, T. Nilges, R. Pöttgen

{"title":"Peierls distortion of the cobalt chain in the low-temperature structure of CoIn2","authors":"N. Gulay, Jutta Kösters, Y. Kalychak, S. Matar, Alfred Rabenbauer, T. Nilges, R. Pöttgen","doi":"10.1515/zkri-2022-0020","DOIUrl":"https://doi.org/10.1515/zkri-2022-0020","url":null,"abstract":"Abstract CoIn2 (Z. Metallkd. 1970, 61, 342–343) forms by reaction of the elements at 1470 K followed by annealing at 770 K for five days. The room temperature structure is orthorhombic (CuMg2 type, Fddd, a = 529.95(10), b = 940.49(13), c = 1785.8(3) pm, wR2 = 0.0563, 444 F2 values, 17 variables) and shows a phase transition at 195(1) K (DSC data). The low-temperature modification crystallizes in the translationengleiche monoclinic subgroup C2/c and exhibits a new structure type (a = 933.7(7), b = 526.91(10), c = 1000.8(2) pm, β = 117.81(5)°, wR2 = 0.0374, 843 F2 values, 30 variables). The structural phase transition is a consequence of a Peierls type distortion. The equidistant cobalt chains in HT-CoIn2 (270.1 pm, 175.2° Co–Co–Co) show pairwise dislocation in LT-CoIn2 with shorter (252.4 pm) and longer (284.1 pm) Co–Co distances. Each cobalt atom has coordination number 10 in the form of slightly distorted square antiprisms of indium, capped by cobalt on the rectangular faces. Density-of-states calculations reveal metallic behavior for both modifications. Integrated crystal orbital overlap populations featuring the bonding characteristics indicate a slightly higher intensity area for LT-CoIn2 along with a shift to lower energy, manifesting the stabilization by pair formation through Peierls distortion.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"237 1","pages":"239 - 248"},"PeriodicalIF":1.2,"publicationDate":"2022-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42266587","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: 3

Quantum transport and microwave scattering on fractal lattices 分形晶格上的量子输运和微波散射

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-03-24 DOI: 10.1515/zkri-2021-2070

K. Subramaniam, M. Zschornak, S. Gemming

{"title":"Quantum transport and microwave scattering on fractal lattices","authors":"K. Subramaniam, M. Zschornak, S. Gemming","doi":"10.1515/zkri-2021-2070","DOIUrl":"https://doi.org/10.1515/zkri-2021-2070","url":null,"abstract":"Abstract Studying the wave-particle nature of electrons in different ways has lead to many fundamental discoveries. Particularly, the dimensionality dependent electronic behavior in the Luttinger Liquid (1D), Quantum Hall (2D) and non-interacting Fermi Liquid (3D) regimes have already revolutionized our understanding of the mechanisms behind quantum electronics. In this work, the theoretical and experimental studies focus on the non-integer dimension represented by an sp2-carbon-based Sierpinski triangular structure with a 1.58D space occupancy. In the tight-binding approach, the spectral distribution of electronic states of such a structure exhibits distinct peak patterns, which are well-separated by gaps. Through quantum transport simulation, the conductance of electrons in 1.58D was studied. Both delocalized, conducting and localized, non-conducting states identified, which differ from the established features of both the fully 2D graphene sheet and 1D carbon nanotubes. In microwave scattering measurements on an adequate experimental setting and the respective simulations on the Sierpinski triangle, the obtained diffraction patterns showed interesting peculiarities such as a reduced number of minima and magic angle, next to diffraction regions of high and low intensity, as well as forbidden regions. The fractal geometry of the structure affects the propagation of waves by manipulating the way they interact with each other which results in structural metamaterial-like interference characteristics, decreasing or amplifying the transmitted or reflected signals, or blocking the transport completely.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"237 1","pages":"179 - 190"},"PeriodicalIF":1.2,"publicationDate":"2022-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45768351","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: 1

Leveraging dewetting models rather than nucleation models: current crystallographic challenges in interfacial and nanomaterials research 利用脱湿模型而不是成核模型:当前界面和纳米材料研究中的晶体学挑战

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-03-07 DOI: 10.1515/zkri-2021-2078

O. Ernst, Yujia Liu, T. Boeck

{"title":"Leveraging dewetting models rather than nucleation models: current crystallographic challenges in interfacial and nanomaterials research","authors":"O. Ernst, Yujia Liu, T. Boeck","doi":"10.1515/zkri-2021-2078","DOIUrl":"https://doi.org/10.1515/zkri-2021-2078","url":null,"abstract":"Abstract No scientific model has shaped crystallography as much as the classical nucleation theory (CNT). The majority of all growth processes and particle formation processes are attributed to the CNT. However, alternative descriptions exist that may be better suited to explain material formation under certain conditions. One of these alternatives is the dewetting theory (DWT). To describe the possibilities of DWT in more detail, we selected three material systems for three current application areas: Gold particles on silicon as catalysts for nanowire growth, indium particles on molybdenum as precursor material in novel solar cell concepts, and silicon layers on silicon germanium as potential wells in semiconductor quantum computers. Each of these material systems showed particular advantages of DWT over CNT. For example, the properties of surface particles with high atomic mobility could be described more realistically using DWT. Yet, there were clear indications that the DWT is not yet complete and that further research is needed to complete it. In particular, modern crystallographic challenges could serve this purpose, for example the development of semiconductor quantum computers, in order to re-evaluate known models such as the CNT and DWT and adapt them to the latest state of science and technology. For the time being, this article will give an outlook on the advantages of the DWT today and its potential for future research in crystallography.","PeriodicalId":48676,"journal":{"name":"Zeitschrift Fur Kristallographie-Crystalline Materials","volume":"237 1","pages":"191 - 200"},"PeriodicalIF":1.2,"publicationDate":"2022-03-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47367310","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

Unique supramolecular assembly of a synthetic achiral α, γ-hybrid tripeptide 合成非手性α， γ-杂化三肽的独特超分子组装

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-03-01 DOI: 10.1515/zkri-2022-0002

Arpita Dutta, Suven Das, Purak Das, Suvendu Maity, P. Ghosh, Soumya Shankha Biswas

引用次数: 1

Syntheses, crystallographic characterization, and structural relations of Rb[SCN] Rb[SCN]的合成、晶体学表征及结构关系

IF 1.2 4区材料科学

Zeitschrift Fur Kristallographie-Crystalline Materials Pub Date : 2022-03-01 DOI: 10.1515/zkri-2022-0015

Alena Shlyaykher, T. Pippinger, T. Schleid, O. Reckeweg, F. Tambornino

引用次数: 1