Loading…

Rashba-like spin-orbit and strain effects in tetragonal PbTiO3

We performed first-principles calculations of the spin-orbit effect appearing in the electronic structure of the well-known ferroelectric perovskite oxide PbTiO3 and analyzed the results within group-theory-derived models. We evidenced some non-negligible linear Rasbha spin splittings of the unoccup...

Full description

Saved in:

Bibliographic Details
Published in:	Physical review. B 2019-11, Vol.100 (17), p.174415
Main Authors:	Arras, R, Gosteau, J, Zhao, H J, Paillard, C, Yang, Y, Bellaiche, L
Format:	Article
Language:	English
Subjects:	Atomic properties CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY Electric polarization Electron spin Electronic structure Ferroelectric materials Ferroelectricity First principles Lead titanates Materials Science Oxygen atoms Perovskites Physics Splitting
Citations:	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-c260t-b667bd78e8c6b5ea49eeb5da8652dd3ce2251c98d5ceb369ddfda630f42f7aa83
cites
container_end_page
container_issue	17
container_start_page	174415
container_title	Physical review. B
container_volume	100
creator	Arras, R Gosteau, J Zhao, H J Paillard, C Yang, Y Bellaiche, L
description	We performed first-principles calculations of the spin-orbit effect appearing in the electronic structure of the well-known ferroelectric perovskite oxide PbTiO3 and analyzed the results within group-theory-derived models. We evidenced some non-negligible linear Rasbha spin splittings of the unoccupied p bands of Pb atoms and occupied p bands of oxygen atoms. Our calculations also show that a cubic spin splitting is present for the unoccupied dxy bands of Ti atoms. All these spin-orbit effects lead to complex spin textures reversible by switching the electric polarization, which could be used for future spinorbitronic applications. Our results also demonstrate how applying epitaxial strain could be envisaged to tune these properties by changing the relative energy of some of the bands or the magnitude of the linear/cubic coefficients describing the spin splitting.
doi_str_mv	10.1103/PhysRevB.100.174415
format	article
fullrecord	<record><control><sourceid>proquest_osti_</sourceid><recordid>TN_cdi_osti_scitechconnect_1801558</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2322409176</sourcerecordid><originalsourceid>FETCH-LOGICAL-c260t-b667bd78e8c6b5ea49eeb5da8652dd3ce2251c98d5ceb369ddfda630f42f7aa83</originalsourceid><addsrcrecordid>eNo9jl1LwzAYhYMoOOZ-gTdFrzPfJE3a3Ag6nAqDjTGvSz7e2szSziYT_PdWJl6dh4fD4RByzWDOGIi7TfMdt_j1OGcwmiLPmTwjE54rTbVW-vyfJVySWYx7AGAKdAF6Qu63JjbW0DZ8YBYPoaP9YEPKTOezmAYTugzrGl2K2YgJR_Xed6bNNnYX1uKKXNSmjTj7yyl5Wz7tFi90tX5-XTysqOMKErVKFdYXJZZOWYkm14hWelMqyb0XDjmXzOnSS4dWKO197Y0SUOe8LowpxZTcnHb7mEIVXUjoGtd33fisYiUwKX9Lt6fSYeg_jxhTte-Pw3g2VlxwnoNmhRI_C8xZZQ</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2322409176</pqid></control><display><type>article</type><title>Rashba-like spin-orbit and strain effects in tetragonal PbTiO3</title><source>American Physical Society:Jisc Collections:APS Read and Publish 2023-2025 (reading list)</source><creator>Arras, R ; Gosteau, J ; Zhao, H J ; Paillard, C ; Yang, Y ; Bellaiche, L</creator><creatorcontrib>Arras, R ; Gosteau, J ; Zhao, H J ; Paillard, C ; Yang, Y ; Bellaiche, L ; Univ. of Arkansas, Fayetteville, AR (United States)</creatorcontrib><description>We performed first-principles calculations of the spin-orbit effect appearing in the electronic structure of the well-known ferroelectric perovskite oxide PbTiO3 and analyzed the results within group-theory-derived models. We evidenced some non-negligible linear Rasbha spin splittings of the unoccupied p bands of Pb atoms and occupied p bands of oxygen atoms. Our calculations also show that a cubic spin splitting is present for the unoccupied dxy bands of Ti atoms. All these spin-orbit effects lead to complex spin textures reversible by switching the electric polarization, which could be used for future spinorbitronic applications. Our results also demonstrate how applying epitaxial strain could be envisaged to tune these properties by changing the relative energy of some of the bands or the magnitude of the linear/cubic coefficients describing the spin splitting.</description><identifier>ISSN: 2469-9950</identifier><identifier>EISSN: 2469-9969</identifier><identifier>DOI: 10.1103/PhysRevB.100.174415</identifier><language>eng</language><publisher>College Park: American Physical Society</publisher><subject>Atomic properties ; CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY ; Electric polarization ; Electron spin ; Electronic structure ; Ferroelectric materials ; Ferroelectricity ; First principles ; Lead titanates ; Materials Science ; Oxygen atoms ; Perovskites ; Physics ; Splitting</subject><ispartof>Physical review. B, 2019-11, Vol.100 (17), p.174415</ispartof><rights>Copyright American Physical Society Nov 1, 2019</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c260t-b667bd78e8c6b5ea49eeb5da8652dd3ce2251c98d5ceb369ddfda630f42f7aa83</citedby><orcidid>0000000233372295 ; 0000000289212477</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27924,27925</link.rule.ids><backlink>$$Uhttps://www.osti.gov/servlets/purl/1801558$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Arras, R</creatorcontrib><creatorcontrib>Gosteau, J</creatorcontrib><creatorcontrib>Zhao, H J</creatorcontrib><creatorcontrib>Paillard, C</creatorcontrib><creatorcontrib>Yang, Y</creatorcontrib><creatorcontrib>Bellaiche, L</creatorcontrib><creatorcontrib>Univ. of Arkansas, Fayetteville, AR (United States)</creatorcontrib><title>Rashba-like spin-orbit and strain effects in tetragonal PbTiO3</title><title>Physical review. B</title><description>We performed first-principles calculations of the spin-orbit effect appearing in the electronic structure of the well-known ferroelectric perovskite oxide PbTiO3 and analyzed the results within group-theory-derived models. We evidenced some non-negligible linear Rasbha spin splittings of the unoccupied p bands of Pb atoms and occupied p bands of oxygen atoms. Our calculations also show that a cubic spin splitting is present for the unoccupied dxy bands of Ti atoms. All these spin-orbit effects lead to complex spin textures reversible by switching the electric polarization, which could be used for future spinorbitronic applications. Our results also demonstrate how applying epitaxial strain could be envisaged to tune these properties by changing the relative energy of some of the bands or the magnitude of the linear/cubic coefficients describing the spin splitting.</description><subject>Atomic properties</subject><subject>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</subject><subject>Electric polarization</subject><subject>Electron spin</subject><subject>Electronic structure</subject><subject>Ferroelectric materials</subject><subject>Ferroelectricity</subject><subject>First principles</subject><subject>Lead titanates</subject><subject>Materials Science</subject><subject>Oxygen atoms</subject><subject>Perovskites</subject><subject>Physics</subject><subject>Splitting</subject><issn>2469-9950</issn><issn>2469-9969</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2019</creationdate><recordtype>article</recordtype><recordid>eNo9jl1LwzAYhYMoOOZ-gTdFrzPfJE3a3Ag6nAqDjTGvSz7e2szSziYT_PdWJl6dh4fD4RByzWDOGIi7TfMdt_j1OGcwmiLPmTwjE54rTbVW-vyfJVySWYx7AGAKdAF6Qu63JjbW0DZ8YBYPoaP9YEPKTOezmAYTugzrGl2K2YgJR_Xed6bNNnYX1uKKXNSmjTj7yyl5Wz7tFi90tX5-XTysqOMKErVKFdYXJZZOWYkm14hWelMqyb0XDjmXzOnSS4dWKO197Y0SUOe8LowpxZTcnHb7mEIVXUjoGtd33fisYiUwKX9Lt6fSYeg_jxhTte-Pw3g2VlxwnoNmhRI_C8xZZQ</recordid><startdate>20191111</startdate><enddate>20191111</enddate><creator>Arras, R</creator><creator>Gosteau, J</creator><creator>Zhao, H J</creator><creator>Paillard, C</creator><creator>Yang, Y</creator><creator>Bellaiche, L</creator><general>American Physical Society</general><general>American Physical Society (APS)</general><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>H8D</scope><scope>JG9</scope><scope>L7M</scope><scope>OIOZB</scope><scope>OTOTI</scope><orcidid>https://orcid.org/0000000233372295</orcidid><orcidid>https://orcid.org/0000000289212477</orcidid></search><sort><creationdate>20191111</creationdate><title>Rashba-like spin-orbit and strain effects in tetragonal PbTiO3</title><author>Arras, R ; Gosteau, J ; Zhao, H J ; Paillard, C ; Yang, Y ; Bellaiche, L</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c260t-b667bd78e8c6b5ea49eeb5da8652dd3ce2251c98d5ceb369ddfda630f42f7aa83</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2019</creationdate><topic>Atomic properties</topic><topic>CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY</topic><topic>Electric polarization</topic><topic>Electron spin</topic><topic>Electronic structure</topic><topic>Ferroelectric materials</topic><topic>Ferroelectricity</topic><topic>First principles</topic><topic>Lead titanates</topic><topic>Materials Science</topic><topic>Oxygen atoms</topic><topic>Perovskites</topic><topic>Physics</topic><topic>Splitting</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Arras, R</creatorcontrib><creatorcontrib>Gosteau, J</creatorcontrib><creatorcontrib>Zhao, H J</creatorcontrib><creatorcontrib>Paillard, C</creatorcontrib><creatorcontrib>Yang, Y</creatorcontrib><creatorcontrib>Bellaiche, L</creatorcontrib><creatorcontrib>Univ. of Arkansas, Fayetteville, AR (United States)</creatorcontrib><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>OSTI.GOV - Hybrid</collection><collection>OSTI.GOV</collection><jtitle>Physical review. B</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Arras, R</au><au>Gosteau, J</au><au>Zhao, H J</au><au>Paillard, C</au><au>Yang, Y</au><au>Bellaiche, L</au><aucorp>Univ. of Arkansas, Fayetteville, AR (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Rashba-like spin-orbit and strain effects in tetragonal PbTiO3</atitle><jtitle>Physical review. B</jtitle><date>2019-11-11</date><risdate>2019</risdate><volume>100</volume><issue>17</issue><spage>174415</spage><pages>174415-</pages><issn>2469-9950</issn><eissn>2469-9969</eissn><abstract>We performed first-principles calculations of the spin-orbit effect appearing in the electronic structure of the well-known ferroelectric perovskite oxide PbTiO3 and analyzed the results within group-theory-derived models. We evidenced some non-negligible linear Rasbha spin splittings of the unoccupied p bands of Pb atoms and occupied p bands of oxygen atoms. Our calculations also show that a cubic spin splitting is present for the unoccupied dxy bands of Ti atoms. All these spin-orbit effects lead to complex spin textures reversible by switching the electric polarization, which could be used for future spinorbitronic applications. Our results also demonstrate how applying epitaxial strain could be envisaged to tune these properties by changing the relative energy of some of the bands or the magnitude of the linear/cubic coefficients describing the spin splitting.</abstract><cop>College Park</cop><pub>American Physical Society</pub><doi>10.1103/PhysRevB.100.174415</doi><orcidid>https://orcid.org/0000000233372295</orcidid><orcidid>https://orcid.org/0000000289212477</orcidid><oa>free_for_read</oa></addata></record>
fulltext	fulltext
identifier	ISSN: 2469-9950
ispartof	Physical review. B, 2019-11, Vol.100 (17), p.174415
issn	2469-9950 2469-9969
language	eng
recordid	cdi_osti_scitechconnect_1801558
source	American Physical Society:Jisc Collections:APS Read and Publish 2023-2025 (reading list)
subjects	Atomic properties CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY Electric polarization Electron spin Electronic structure Ferroelectric materials Ferroelectricity First principles Lead titanates Materials Science Oxygen atoms Perovskites Physics Splitting
title	Rashba-like spin-orbit and strain effects in tetragonal PbTiO3
url	http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-07T08%3A10%3A24IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_osti_&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Rashba-like%20spin-orbit%20and%20strain%20effects%20in%20tetragonal%20PbTiO3&rft.jtitle=Physical%20review.%20B&rft.au=Arras,%20R&rft.aucorp=Univ.%20of%20Arkansas,%20Fayetteville,%20AR%20(United%20States)&rft.date=2019-11-11&rft.volume=100&rft.issue=17&rft.spage=174415&rft.pages=174415-&rft.issn=2469-9950&rft.eissn=2469-9969&rft_id=info:doi/10.1103/PhysRevB.100.174415&rft_dat=%3Cproquest_osti_%3E2322409176%3C/proquest_osti_%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c260t-b667bd78e8c6b5ea49eeb5da8652dd3ce2251c98d5ceb369ddfda630f42f7aa83%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2322409176&rft_id=info:pmid/&rfr_iscdi=true