The origin of the distorted close-packed elemental structure of indium
(1999) In Angewandte Chemie - International Edition 38(13-14). p.2017-2020- Abstract
Why does indium adopt a tetragonally distorted fcc structure, and not a fcc structure like its lighter homologue aluminum? This question has puzzled chemists and physicists for a long time, and has now been addressed by means of ab initio full-potential calculations in the framework of density functional theory. It was found that the different tendency of aluminum and indium to form s-p hybridized bands is responsible for the different ground- state structures (shown schematically).
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/0213226d-7a64-41bb-ba43-2572a398e84a
- author
- Häussermann, Ulrich ; Simak, Sergei I. ; Ahuja, Rajeev ; Johansson, Börje LU and Lidin, Sven LU
- publishing date
- 1999-07-12
- type
- Contribution to journal
- publication status
- published
- keywords
- Ab initio calculations, Aluminum, Bond theory, Elemental structures, Indium
- in
- Angewandte Chemie - International Edition
- volume
- 38
- issue
- 13-14
- pages
- 4 pages
- publisher
- John Wiley & Sons Inc.
- external identifiers
-
- scopus:0040299904
- ISSN
- 1433-7851
- DOI
- 10.1002/(SICI)1521-3773(19990712)38:13/14<2017::AID-ANIE2017>3.0.CO;2-O
- language
- English
- LU publication?
- no
- id
- 0213226d-7a64-41bb-ba43-2572a398e84a
- date added to LUP
- 2019-04-08 16:04:00
- date last changed
- 2022-04-02 07:56:49
@article{0213226d-7a64-41bb-ba43-2572a398e84a, abstract = {{<p>Why does indium adopt a tetragonally distorted fcc structure, and not a fcc structure like its lighter homologue aluminum? This question has puzzled chemists and physicists for a long time, and has now been addressed by means of ab initio full-potential calculations in the framework of density functional theory. It was found that the different tendency of aluminum and indium to form s-p hybridized bands is responsible for the different ground- state structures (shown schematically).</p>}}, author = {{Häussermann, Ulrich and Simak, Sergei I. and Ahuja, Rajeev and Johansson, Börje and Lidin, Sven}}, issn = {{1433-7851}}, keywords = {{Ab initio calculations; Aluminum; Bond theory; Elemental structures; Indium}}, language = {{eng}}, month = {{07}}, number = {{13-14}}, pages = {{2017--2020}}, publisher = {{John Wiley & Sons Inc.}}, series = {{Angewandte Chemie - International Edition}}, title = {{The origin of the distorted close-packed elemental structure of indium}}, url = {{http://dx.doi.org/10.1002/(SICI)1521-3773(19990712)38:13/14<2017::AID-ANIE2017>3.0.CO;2-O}}, doi = {{10.1002/(SICI)1521-3773(19990712)38:13/14<2017::AID-ANIE2017>3.0.CO;2-O}}, volume = {{38}}, year = {{1999}}, }