{"title":"菱面体cu - zr -硫尖晶石原子纳米簇形成的多阶结构机制","authors":"V. M. Talanov, M. Talanov","doi":"10.17586/2220-8054-2022-13-6-668-677","DOIUrl":null,"url":null,"abstract":"A BSTRACT A structural mechanism for the formation of nanoclusters and the rhombohedral modification of CuZr 1 . 86(1) S 4 has been proposed. Group-theoretical and crystal-chemical methods are used to study the features of the crystal structure and multi-order in Cu–Zr-thiospinel. A multi-order is a structural organization of a material, in the formation of which different degrees of freedom of a crystal participate. It has been proven that the rhombohedral structure of CuZr 1 . 86(1) S 4 is formed as a result of displacements and orderings of all types of atoms. It is theoretically shown that the formation of a rhombohedral phase is associated not only with the lattice, but also with the charge and, possibly, orbital degrees of freedom of the crystal. Theory predicts that the rhombohedral phase must be an improper ferroelastic. An important feature of the rhombohedral structure is metal nanoclusters: “bunch” of dimers, trimers, and tetrahedra. Bunch of dimers are an unusual type of self-organization of atoms in rhombohedral spinel-like structures, formed by atoms of two (tetrahedral and octahedral) frustrated crystal sublattices.","PeriodicalId":18782,"journal":{"name":"Nanosystems: Physics, Chemistry, Mathematics","volume":"23 1","pages":""},"PeriodicalIF":0.8000,"publicationDate":"2022-12-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Multi-order and structural mechanism of atom nanocluster formation in rhombohedral Cu-Zr-thiospinels\",\"authors\":\"V. M. Talanov, M. Talanov\",\"doi\":\"10.17586/2220-8054-2022-13-6-668-677\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A BSTRACT A structural mechanism for the formation of nanoclusters and the rhombohedral modification of CuZr 1 . 86(1) S 4 has been proposed. Group-theoretical and crystal-chemical methods are used to study the features of the crystal structure and multi-order in Cu–Zr-thiospinel. A multi-order is a structural organization of a material, in the formation of which different degrees of freedom of a crystal participate. It has been proven that the rhombohedral structure of CuZr 1 . 86(1) S 4 is formed as a result of displacements and orderings of all types of atoms. It is theoretically shown that the formation of a rhombohedral phase is associated not only with the lattice, but also with the charge and, possibly, orbital degrees of freedom of the crystal. Theory predicts that the rhombohedral phase must be an improper ferroelastic. An important feature of the rhombohedral structure is metal nanoclusters: “bunch” of dimers, trimers, and tetrahedra. Bunch of dimers are an unusual type of self-organization of atoms in rhombohedral spinel-like structures, formed by atoms of two (tetrahedral and octahedral) frustrated crystal sublattices.\",\"PeriodicalId\":18782,\"journal\":{\"name\":\"Nanosystems: Physics, Chemistry, Mathematics\",\"volume\":\"23 1\",\"pages\":\"\"},\"PeriodicalIF\":0.8000,\"publicationDate\":\"2022-12-28\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nanosystems: Physics, Chemistry, Mathematics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.17586/2220-8054-2022-13-6-668-677\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"NANOSCIENCE & NANOTECHNOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nanosystems: Physics, Chemistry, Mathematics","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.17586/2220-8054-2022-13-6-668-677","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"NANOSCIENCE & NANOTECHNOLOGY","Score":null,"Total":0}
引用次数: 0
摘要
cuzr1纳米团簇形成的结构机理及菱面体修饰。86(1) S 4已被提议。采用群论和晶体化学方法研究了cu - zr -硫尖晶石晶体结构和多序性的特点。多阶是一种材料的结构组织,它的形成有不同自由度的晶体参与。证明了cuzr1的菱面体结构。s4是由所有类型的原子的位移和排列形成的。理论表明,菱形相的形成不仅与晶格有关,而且与晶体的电荷和可能的轨道自由度有关。理论预测,菱形相一定是一种反常的铁弹性相。菱形体结构的一个重要特征是金属纳米簇:二聚体、三聚体和四面体的“束”。束状二聚体是由两个(四面体和八面体)受挫晶体亚晶格的原子在菱形尖晶石状结构中形成的一种不寻常的自组织原子。
Multi-order and structural mechanism of atom nanocluster formation in rhombohedral Cu-Zr-thiospinels
A BSTRACT A structural mechanism for the formation of nanoclusters and the rhombohedral modification of CuZr 1 . 86(1) S 4 has been proposed. Group-theoretical and crystal-chemical methods are used to study the features of the crystal structure and multi-order in Cu–Zr-thiospinel. A multi-order is a structural organization of a material, in the formation of which different degrees of freedom of a crystal participate. It has been proven that the rhombohedral structure of CuZr 1 . 86(1) S 4 is formed as a result of displacements and orderings of all types of atoms. It is theoretically shown that the formation of a rhombohedral phase is associated not only with the lattice, but also with the charge and, possibly, orbital degrees of freedom of the crystal. Theory predicts that the rhombohedral phase must be an improper ferroelastic. An important feature of the rhombohedral structure is metal nanoclusters: “bunch” of dimers, trimers, and tetrahedra. Bunch of dimers are an unusual type of self-organization of atoms in rhombohedral spinel-like structures, formed by atoms of two (tetrahedral and octahedral) frustrated crystal sublattices.