Unit-cell determination of epitaxial thin films based on reciprocal-space vectors by high-resolution X-ray diffractometry

Yang，Ping1; Liu，Huajun2; Chen，Zuhuang3; Chen，Lang4; Wang，John2

2014

10.1107/S1600576713031191

JOURNAL OF APPLIED CRYSTALLOGRAPHY   影响因子和分区

0021-8898

1600-5767

A new approach, based on reciprocal-space vectors (RSVs), is developed to determine Bravais lattice types and accurate lattice parameters of epitaxial thin films by high-resolution X-ray diffractometry. The lattice parameters of single-crystal substrates are employed as references to correct the systematic experimental errors of RSVs of thin films. The general procedure is summarized, involving correction of RSVs, derivation of the raw unit cell, and subsequent conversion to the Niggli unit cell and the Bravais unit cell by matrix calculation. Two methods of this procedure are described: in three-dimensional reciprocal space and in six-dimensional G space. The estimation of standard error in the lattice parameters derived by this new approach is discussed. The whole approach is illustrated by examples of experimental data. The error of the best result is 0.0006 Å for the lattice parameter of indium tin oxide film. This new RSV method provides a practical and concise route to the crystal structure study of epitaxial thin films and could also be applied to the investigation of surface and interface structures. © 2014 International Union of Crystallography.

Bravais lattice crystal structure determination epitaxial thin films high-resolution X-ray diffractometry Niggli-reduced cells reciprocal-space vectors

SCI ; EI

英语

其他

WOS:000330485100049

20140717302896

Oxide films ; Interfaces (materials) ; Single crystals ; Systematic errors ; Vector spaces ; Cells ; Lattice constants ; Cytology ; Indium compounds ; Tin oxides

Biological Materials and Tissue Engineering:461.2 ; Biology:461.9 ; Inorganic Compounds:804.2 ; Mathematics:921 ; Crystalline Solids:933.1 ; Crystal Lattice:933.1.1 ; Materials Science:951

CHEMISTRY

2-s2.0-84893296986

Scopus

1.Singapore Synchrotron Light Source (SSLS),National University of Singapore (NUS),5 Research Link,117603, Singapore,Singapore
2.Department of Materials Science and Engineering,National University of Singapore (NUS),9 Engineering Drive 1,117576, Singapore,Singapore
3.Department of Materials Science and Engineering,F. Seitz Materials Research Laboratory,University of Illinois Urbana-Champaign,Urbana, IL 61801,United States
4.South University of Science and Technology of China (SUSTC),Shenzhen, 518055,China

Yang，Ping,Liu，Huajun,Chen，Zuhuang,et al. Unit-cell determination of epitaxial thin films based on reciprocal-space vectors by high-resolution X-ray diffractometry[J]. JOURNAL OF APPLIED CRYSTALLOGRAPHY,2014,47(1):402-413.

Yang，Ping,Liu，Huajun,Chen，Zuhuang,Chen，Lang,&Wang，John.(2014).Unit-cell determination of epitaxial thin films based on reciprocal-space vectors by high-resolution X-ray diffractometry.JOURNAL OF APPLIED CRYSTALLOGRAPHY,47(1),402-413.

Yang，Ping,et al."Unit-cell determination of epitaxial thin films based on reciprocal-space vectors by high-resolution X-ray diffractometry".JOURNAL OF APPLIED CRYSTALLOGRAPHY 47.1(2014):402-413.