Systematic trends in boron icosahedral structured materials

Boron materials exist in many different structures with an important similarity that they all contain connected B 12 icosahedra. Various structures that hold potential for super-hard material properties are examined using ab initio computational techniques. Systematic trends are established. The cha...

Full description

Saved in:
Bibliographic Details
Published in:Physica. B, Condensed matter Condensed matter, 2008-08, Vol.403 (17), p.2760-2767
Main Authors: Letsoalo, Thabo, Lowther, J.E.
Format: Article
Language:English
Subjects:
Borides
Bulk modulus
Charge density
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron states
Electronic structure
Electronic structure of disordered solids
Exact sciences and technology
Physics
Theories and models
localized states
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by cdi_FETCH-LOGICAL-c364t-b78c87ffb713da7dd4c5d1b8a24c562daa3d8fa7edd9d18f7e1d68c6a502084e3
cites cdi_FETCH-LOGICAL-c364t-b78c87ffb713da7dd4c5d1b8a24c562daa3d8fa7edd9d18f7e1d68c6a502084e3
container_end_page 2767
container_issue 17
container_start_page 2760
container_title Physica. B, Condensed matter
container_volume 403
creator Letsoalo, Thabo
Lowther, J.E.
description Boron materials exist in many different structures with an important similarity that they all contain connected B 12 icosahedra. Various structures that hold potential for super-hard material properties are examined using ab initio computational techniques. Systematic trends are established. The charge density between all B–B bonds in each structure that are examined and it is suggested that hardness of the material may, in part, relate to the average charge density between the boron bonds. Atoms connecting the B icosahedra donating charge that enhance the strength of the B–B bonds.
doi_str_mv 10.1016/j.physb.2008.02.023
format article
fullrecord <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_34046447</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><els_id>S0921452608000689</els_id><sourcerecordid>34046447</sourcerecordid><originalsourceid>FETCH-LOGICAL-c364t-b78c87ffb713da7dd4c5d1b8a24c562daa3d8fa7edd9d18f7e1d68c6a502084e3</originalsourceid><addsrcrecordid>eNp9kE1LAzEQhoMoWD9-gZe96G3XfO0mRTxI8QsKHtRzyCazNGW7WzOp0H9vaotHh4F3Ds-8w7yEXDFaMcqa22W1XmyxrTiluqI8tzgiE6aVKDkT9TGZ0Clnpax5c0rOEJc0F1NsQu7et5hgZVNwRYoweCzCULRjHIciuBHtAny0fYEpblzaRPBFhiEG2-MFOemywOVBz8nn0-PH7KWcvz2_zh7mpRONTGWrtNOq61rFhLfKe-lqz1pteR4a7q0VXndWgfdTz3SngPlGu8bWlFMtQZyTm73vOo5fG8BkVgEd9L0dYNygEZLKRkqVQbEHXRwRI3RmHcPKxq1h1OyCMkvzG5TZBWUozy3y1vXB3qKzfRft4AL-rXIqp1rUMnP3ew7yr98BokEXYHDgQwSXjB_Dv3d-ANZJgPY</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>34046447</pqid></control><display><type>article</type><title>Systematic trends in boron icosahedral structured materials</title><source>ScienceDirect Freedom Collection 2022-2024</source><creator>Letsoalo, Thabo ; Lowther, J.E.</creator><creatorcontrib>Letsoalo, Thabo ; Lowther, J.E.</creatorcontrib><description>Boron materials exist in many different structures with an important similarity that they all contain connected B 12 icosahedra. Various structures that hold potential for super-hard material properties are examined using ab initio computational techniques. Systematic trends are established. The charge density between all B–B bonds in each structure that are examined and it is suggested that hardness of the material may, in part, relate to the average charge density between the boron bonds. Atoms connecting the B icosahedra donating charge that enhance the strength of the B–B bonds.</description><identifier>ISSN: 0921-4526</identifier><identifier>EISSN: 1873-2135</identifier><identifier>DOI: 10.1016/j.physb.2008.02.023</identifier><language>eng</language><publisher>Amsterdam: Elsevier B.V</publisher><subject>Borides ; Bulk modulus ; Charge density ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Electron states ; Electronic structure ; Electronic structure of disordered solids ; Exact sciences and technology ; Physics ; Theories and models; localized states</subject><ispartof>Physica. B, Condensed matter, 2008-08, Vol.403 (17), p.2760-2767</ispartof><rights>2008 Elsevier B.V.</rights><rights>2008 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c364t-b78c87ffb713da7dd4c5d1b8a24c562daa3d8fa7edd9d18f7e1d68c6a502084e3</citedby><cites>FETCH-LOGICAL-c364t-b78c87ffb713da7dd4c5d1b8a24c562daa3d8fa7edd9d18f7e1d68c6a502084e3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&amp;idt=20498354$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Letsoalo, Thabo</creatorcontrib><creatorcontrib>Lowther, J.E.</creatorcontrib><title>Systematic trends in boron icosahedral structured materials</title><title>Physica. B, Condensed matter</title><description>Boron materials exist in many different structures with an important similarity that they all contain connected B 12 icosahedra. Various structures that hold potential for super-hard material properties are examined using ab initio computational techniques. Systematic trends are established. The charge density between all B–B bonds in each structure that are examined and it is suggested that hardness of the material may, in part, relate to the average charge density between the boron bonds. Atoms connecting the B icosahedra donating charge that enhance the strength of the B–B bonds.</description><subject>Borides</subject><subject>Bulk modulus</subject><subject>Charge density</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Electron states</subject><subject>Electronic structure</subject><subject>Electronic structure of disordered solids</subject><subject>Exact sciences and technology</subject><subject>Physics</subject><subject>Theories and models; localized states</subject><issn>0921-4526</issn><issn>1873-2135</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2008</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LAzEQhoMoWD9-gZe96G3XfO0mRTxI8QsKHtRzyCazNGW7WzOp0H9vaotHh4F3Ds-8w7yEXDFaMcqa22W1XmyxrTiluqI8tzgiE6aVKDkT9TGZ0Clnpax5c0rOEJc0F1NsQu7et5hgZVNwRYoweCzCULRjHIciuBHtAny0fYEpblzaRPBFhiEG2-MFOemywOVBz8nn0-PH7KWcvz2_zh7mpRONTGWrtNOq61rFhLfKe-lqz1pteR4a7q0VXndWgfdTz3SngPlGu8bWlFMtQZyTm73vOo5fG8BkVgEd9L0dYNygEZLKRkqVQbEHXRwRI3RmHcPKxq1h1OyCMkvzG5TZBWUozy3y1vXB3qKzfRft4AL-rXIqp1rUMnP3ew7yr98BokEXYHDgQwSXjB_Dv3d-ANZJgPY</recordid><startdate>20080801</startdate><enddate>20080801</enddate><creator>Letsoalo, Thabo</creator><creator>Lowther, J.E.</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope></search><sort><creationdate>20080801</creationdate><title>Systematic trends in boron icosahedral structured materials</title><author>Letsoalo, Thabo ; Lowther, J.E.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c364t-b78c87ffb713da7dd4c5d1b8a24c562daa3d8fa7edd9d18f7e1d68c6a502084e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2008</creationdate><topic>Borides</topic><topic>Bulk modulus</topic><topic>Charge density</topic><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Electron states</topic><topic>Electronic structure</topic><topic>Electronic structure of disordered solids</topic><topic>Exact sciences and technology</topic><topic>Physics</topic><topic>Theories and models; localized states</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Letsoalo, Thabo</creatorcontrib><creatorcontrib>Lowther, J.E.</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Physica. B, Condensed matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Letsoalo, Thabo</au><au>Lowther, J.E.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Systematic trends in boron icosahedral structured materials</atitle><jtitle>Physica. B, Condensed matter</jtitle><date>2008-08-01</date><risdate>2008</risdate><volume>403</volume><issue>17</issue><spage>2760</spage><epage>2767</epage><pages>2760-2767</pages><issn>0921-4526</issn><eissn>1873-2135</eissn><abstract>Boron materials exist in many different structures with an important similarity that they all contain connected B 12 icosahedra. Various structures that hold potential for super-hard material properties are examined using ab initio computational techniques. Systematic trends are established. The charge density between all B–B bonds in each structure that are examined and it is suggested that hardness of the material may, in part, relate to the average charge density between the boron bonds. Atoms connecting the B icosahedra donating charge that enhance the strength of the B–B bonds.</abstract><cop>Amsterdam</cop><pub>Elsevier B.V</pub><doi>10.1016/j.physb.2008.02.023</doi><tpages>8</tpages></addata></record>
fulltext fulltext
identifier ISSN: 0921-4526
ispartof Physica. B, Condensed matter, 2008-08, Vol.403 (17), p.2760-2767
issn 0921-4526
1873-2135
language eng
recordid cdi_proquest_miscellaneous_34046447
source ScienceDirect Freedom Collection 2022-2024
subjects Borides
Bulk modulus
Charge density
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Electron states
Electronic structure
Electronic structure of disordered solids
Exact sciences and technology
Physics
Theories and models
localized states
title Systematic trends in boron icosahedral structured materials
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-02-06T23%3A31%3A31IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Systematic%20trends%20in%20boron%20icosahedral%20structured%20materials&rft.jtitle=Physica.%20B,%20Condensed%20matter&rft.au=Letsoalo,%20Thabo&rft.date=2008-08-01&rft.volume=403&rft.issue=17&rft.spage=2760&rft.epage=2767&rft.pages=2760-2767&rft.issn=0921-4526&rft.eissn=1873-2135&rft_id=info:doi/10.1016/j.physb.2008.02.023&rft_dat=%3Cproquest_cross%3E34046447%3C/proquest_cross%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c364t-b78c87ffb713da7dd4c5d1b8a24c562daa3d8fa7edd9d18f7e1d68c6a502084e3%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=34046447&rft_id=info:pmid/&rfr_iscdi=true