Properties of Sin, Gen, and SinGen Clusters

机译：SIN，Gen和Singen集群的属性

获取原文

页面导航

摘要
著录项
相似文献
相关主题

摘要

The structures of Si_n, Ge_n, and Si_nGe_n clusters with up to 44 atoms have been determined theoretically using an unbiased structure-optimization method in combination with a parametrized, density-functional description of the total energy for a given structure. By analyzing the total energy in detail, particularly stable clusters are identified. Moreover, general trends in the structures are identified with the help of specifically constructed descriptors.

机译：在理论上，通过与给定结构的总能量的总能量的总能量描述，从理论上使用多达44个原子的Si_n，Ge_n和Si_nge_n簇的结构已经使用非偏析的结构优化方法确定。通过详细分析总能量，鉴定了特别稳定的簇。此外，借助于特异性构造的描述符来识别结构的一般趋势。

著录项

来源
《International Conference of Computational Methods in Sciences and Engineering》|2015年||共5页
会议地点
作者
Yi Dong; Habib ur Rehman; Michael Springborg;
展开▼
作者单位

展开▼
会议组织
原文格式 PDF
正文语种
中图分类 TP3-532;
关键词
semiconductors; clusters; structural properties; electronic properties; theoretical calculations;

机译：半导体;集群;结构性;电子特性;理论计算;

相似文献

外文文献
中文文献
专利

1. Structural, energetic, and electronic properties of Sin, Gen,and SinGen clusters [J] . H. ur Rehman, M. Springborg, Y. Dong The European physical journal, D. Atomic, molecular, and optical physics . 2009,第1a3期

机译：Sin，Gen和SinGen团簇的结构，能量和电子性质
2. First-principles studies of the structural, electronic and optical properties of dinitrides CN_2, SiN_2 and GeN_2 [J] . George S. Manyali, Robert Warmbier, Alexander Quandt Computational Materials Science . 2014,第Null期

机译：二氮化物CN_2，SiN_2和GeN_2的结构，电子和光学性质的第一性原理研究
3. Structural, elastic constants, hardness, and optical properties of pyrite-type dinitrides (CN_2, SiN_2, GeN_2) [J] . Ding Y.C., Xiang A.P., He X.J., Physica, B. Condensed Matter . 2011,第8期

机译：黄铁矿型氮化物（CN_2，SiN_2，GeN_2）的结构，弹性常数，硬度和光学性质
4. Properties of Sin, Gen, and SinGen Clusters [C] . Yi Dong, Habib ur Rehman, Michael Springborg International Conference of Computational Methods in Sciences and Engineering . 2015

机译：SIN，Gen和Singen集群的属性
5. Constraints on cluster structure and cosmology from X-ray and Sunyaev-Zel'dovich effect properties of galaxy clusters. [D] . Laroque, Samuel J. 2005

机译：X射线和星云团的Sunyaev-Zel'dovich效应特性对团簇结构和宇宙学的约束。
6. Paciente masculino con cariotipo 46 XX negativo para el gen SRY y sin ambigüedad genital: reporte de un caso [O] . Andrea Casas-Vargas, Johanna Galvis, Jenny Blanco, 2019

机译：SRY基因阴性的46 XX核型的男性患者无生殖器歧义：一例病例报告
7. Structure and electronic properties of new model dinitride systems: a density-functional study of CN₂, SiN₂, and GeN₂ [O] . Weihrich, Richard, Eyert, V., Matar, S.F. 2003

机译：新型氮化物系统的结构和电子性质：CN 2，SiN 2和GeN 2的密度泛函研究

Properties of Sin, Gen, and SinGen Clusters

摘要

著录项

相似文献

相关主题

期刊订阅