Calculation of the biquadratic spin interactions based on the spin cluster expansion for \textit{ab initio} tight-binding models
We devise a calculation scheme using \textit{ab initio} tight-binding Hamiltonians to evaluate biquadratic magnetic interactions. This approach relies on the spin cluster expansion combined with the disordered local moment (DLM) method, originally developed within the multiple scattering Korringa-Ko...
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creator | Hatanaka, Tatsuto Bouaziz, Juba Nomoto, Takuya Arita, Ryotaro |
description | We devise a calculation scheme using \textit{ab initio} tight-binding
Hamiltonians to evaluate biquadratic magnetic interactions. This approach
relies on the spin cluster expansion combined with the disordered local moment
(DLM) method, originally developed within the multiple scattering
Korringa-Kohn-Rostoker method. Applying it to the two-orbital Hubbard model, we
show that the evaluated DLM biquadratic interactions agree well with those
obtained from the strongly correlated limit, demonstrating wide applicability
{of the method} to various magnetic systems with large local moments. We then
apply it to the \textit{ab initio} tight-binding models for bcc Fe and fcc Ni;
the resulting magnetic interactions align well with previous studies in the
literature. The present approach offers a convenient \textit{ab initio} path
for evaluating biquadratic interactions and understanding the electronic
mechanisms controlling them. |
doi_str_mv | 10.48550/arxiv.2405.04369 |
format | Article |
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Hamiltonians to evaluate biquadratic magnetic interactions. This approach
relies on the spin cluster expansion combined with the disordered local moment
(DLM) method, originally developed within the multiple scattering
Korringa-Kohn-Rostoker method. Applying it to the two-orbital Hubbard model, we
show that the evaluated DLM biquadratic interactions agree well with those
obtained from the strongly correlated limit, demonstrating wide applicability
{of the method} to various magnetic systems with large local moments. We then
apply it to the \textit{ab initio} tight-binding models for bcc Fe and fcc Ni;
the resulting magnetic interactions align well with previous studies in the
literature. The present approach offers a convenient \textit{ab initio} path
for evaluating biquadratic interactions and understanding the electronic
mechanisms controlling them.</description><identifier>DOI: 10.48550/arxiv.2405.04369</identifier><language>eng</language><subject>Physics - Strongly Correlated Electrons</subject><creationdate>2024-05</creationdate><rights>http://creativecommons.org/licenses/by/4.0</rights><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>228,230,780,885</link.rule.ids><linktorsrc>$$Uhttps://arxiv.org/abs/2405.04369$$EView_record_in_Cornell_University$$FView_record_in_$$GCornell_University$$Hfree_for_read</linktorsrc><backlink>$$Uhttps://doi.org/10.48550/arXiv.2405.04369$$DView paper in arXiv$$Hfree_for_read</backlink></links><search><creatorcontrib>Hatanaka, Tatsuto</creatorcontrib><creatorcontrib>Bouaziz, Juba</creatorcontrib><creatorcontrib>Nomoto, Takuya</creatorcontrib><creatorcontrib>Arita, Ryotaro</creatorcontrib><title>Calculation of the biquadratic spin interactions based on the spin cluster expansion for \textit{ab initio} tight-binding models</title><description>We devise a calculation scheme using \textit{ab initio} tight-binding
Hamiltonians to evaluate biquadratic magnetic interactions. This approach
relies on the spin cluster expansion combined with the disordered local moment
(DLM) method, originally developed within the multiple scattering
Korringa-Kohn-Rostoker method. Applying it to the two-orbital Hubbard model, we
show that the evaluated DLM biquadratic interactions agree well with those
obtained from the strongly correlated limit, demonstrating wide applicability
{of the method} to various magnetic systems with large local moments. We then
apply it to the \textit{ab initio} tight-binding models for bcc Fe and fcc Ni;
the resulting magnetic interactions align well with previous studies in the
literature. The present approach offers a convenient \textit{ab initio} path
for evaluating biquadratic interactions and understanding the electronic
mechanisms controlling them.</description><subject>Physics - Strongly Correlated Electrons</subject><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><sourceid>GOX</sourceid><recordid>eNotkM1KxDAUhbtxIaMP4Mq8QGvaJE26lOIfDLiZpVBu_mYCnbQmqVRE8NFtq6sL537nLL4suylxQQVj-A7C7D6KimJWYErq5jL7aaFXUw_JDR4NFqWTQdK9T6DDkikUR-eR88kEUCsTkYRoNFroFd3eqp_iAiAzj-DjOmSHgN6SmZNLXyCXvlu63yi54ynl0nnt_BGdB236eJVdWOijuf6_u-zw-HBon_P969NLe7_PoeZNrqCRlAjb8LqUWgoumOREaE4xL3EtwVrGqFCkwlVVLiEXomZalIaVoGRFdtnt3-ymoBuDO0P47FYV3aaC_AI3q1vs</recordid><startdate>20240507</startdate><enddate>20240507</enddate><creator>Hatanaka, Tatsuto</creator><creator>Bouaziz, Juba</creator><creator>Nomoto, Takuya</creator><creator>Arita, Ryotaro</creator><scope>GOX</scope></search><sort><creationdate>20240507</creationdate><title>Calculation of the biquadratic spin interactions based on the spin cluster expansion for \textit{ab initio} tight-binding models</title><author>Hatanaka, Tatsuto ; Bouaziz, Juba ; Nomoto, Takuya ; Arita, Ryotaro</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-a679-ca9b438f9761bdb8785b738d7407106baff5548c32022140778865d81e51acb23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Physics - Strongly Correlated Electrons</topic><toplevel>online_resources</toplevel><creatorcontrib>Hatanaka, Tatsuto</creatorcontrib><creatorcontrib>Bouaziz, Juba</creatorcontrib><creatorcontrib>Nomoto, Takuya</creatorcontrib><creatorcontrib>Arita, Ryotaro</creatorcontrib><collection>arXiv.org</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext_linktorsrc</fulltext></delivery><addata><au>Hatanaka, Tatsuto</au><au>Bouaziz, Juba</au><au>Nomoto, Takuya</au><au>Arita, Ryotaro</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Calculation of the biquadratic spin interactions based on the spin cluster expansion for \textit{ab initio} tight-binding models</atitle><date>2024-05-07</date><risdate>2024</risdate><abstract>We devise a calculation scheme using \textit{ab initio} tight-binding
Hamiltonians to evaluate biquadratic magnetic interactions. This approach
relies on the spin cluster expansion combined with the disordered local moment
(DLM) method, originally developed within the multiple scattering
Korringa-Kohn-Rostoker method. Applying it to the two-orbital Hubbard model, we
show that the evaluated DLM biquadratic interactions agree well with those
obtained from the strongly correlated limit, demonstrating wide applicability
{of the method} to various magnetic systems with large local moments. We then
apply it to the \textit{ab initio} tight-binding models for bcc Fe and fcc Ni;
the resulting magnetic interactions align well with previous studies in the
literature. The present approach offers a convenient \textit{ab initio} path
for evaluating biquadratic interactions and understanding the electronic
mechanisms controlling them.</abstract><doi>10.48550/arxiv.2405.04369</doi><oa>free_for_read</oa></addata></record> |
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subjects | Physics - Strongly Correlated Electrons |
title | Calculation of the biquadratic spin interactions based on the spin cluster expansion for \textit{ab initio} tight-binding models |
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