Structural, electronic and magnetic properties and pressure-induced half metallicity in double perovskite Ca^sub 2^AOsO^sub 6^ (A?=?Cr, Mo)

Ca2CrOsO6 was synthesized recently and measured to be an insulating ferrimagnet with a high magnetic ordering temperature of 490 K. To design a half metal, we substituted Cr with Mo and performed an investigation on Ca2AOsO6 (A = Cr, Mo) by using the density functional theory. However, Ca2MoOsO6 is...

Full description

Saved in:
Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2018-12, Vol.467, p.145
Main Authors: Zu, Ningning, Li, Rui, Ai, Ruibo
Format: Article
Language:English
Subjects:
Calcium
Chromium
Crystal structure
Density functional theory
External pressure
Ferrimagnetism
Magnetic fields
Magnetic properties
Metallicity
Molybdenum
Perovskites
Temperature effects
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by
cites
container_end_page
container_issue
container_start_page 145
container_title Journal of magnetism and magnetic materials
container_volume 467
creator Zu, Ningning
Li, Rui
Ai, Ruibo
description Ca2CrOsO6 was synthesized recently and measured to be an insulating ferrimagnet with a high magnetic ordering temperature of 490 K. To design a half metal, we substituted Cr with Mo and performed an investigation on Ca2AOsO6 (A = Cr, Mo) by using the density functional theory. However, Ca2MoOsO6 is an insulator with a small band gap in one spin direction. By applying external pressure, the small gap can be closed, making Ca2MoOsO6 a compensated half metal. The estimated Tc for Ca2MoOsO6 under pressure is higher than the room temperature. Therefore, we expect that Ca2MoOsO6 would be promising compound for spintronic devices.
format article
fullrecord <record><control><sourceid>proquest</sourceid><recordid>TN_cdi_proquest_journals_2120175541</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>2120175541</sourcerecordid><originalsourceid>FETCH-proquest_journals_21201755413</originalsourceid><addsrcrecordid>eNqNTctKAzEUDaLg-PiHC24UOpDMeyOlDIob6ULXU9LMraamyZh7I_gN_rRD8QNcnTfnRGSqa8u8apvmVGSylFXedXV5Li6I9lJKVXVNJn5eOCbDKWq3AHRoOAZvDWg_wkG_eeRZTDFMGNkiHf0pIlGKmFs_JoMjvGu3gwOyds4ay99gPYwhbR3CvAtf9GEZodcDpS0Uw2pN6yNtBrhdLe-XfVzAc7i7Emc77Qiv__BS3Dw-vPZP-fz_mZB4sw8p-jnaFKqQqq3rSpX_a_0CNvRUzA</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>2120175541</pqid></control><display><type>article</type><title>Structural, electronic and magnetic properties and pressure-induced half metallicity in double perovskite Ca^sub 2^AOsO^sub 6^ (A?=?Cr, Mo)</title><source>ScienceDirect Journals</source><creator>Zu, Ningning ; Li, Rui ; Ai, Ruibo</creator><creatorcontrib>Zu, Ningning ; Li, Rui ; Ai, Ruibo</creatorcontrib><description>Ca2CrOsO6 was synthesized recently and measured to be an insulating ferrimagnet with a high magnetic ordering temperature of 490 K. To design a half metal, we substituted Cr with Mo and performed an investigation on Ca2AOsO6 (A = Cr, Mo) by using the density functional theory. However, Ca2MoOsO6 is an insulator with a small band gap in one spin direction. By applying external pressure, the small gap can be closed, making Ca2MoOsO6 a compensated half metal. The estimated Tc for Ca2MoOsO6 under pressure is higher than the room temperature. Therefore, we expect that Ca2MoOsO6 would be promising compound for spintronic devices.</description><identifier>ISSN: 0304-8853</identifier><identifier>EISSN: 1873-4766</identifier><language>eng</language><publisher>Amsterdam: Elsevier BV</publisher><subject>Calcium ; Chromium ; Crystal structure ; Density functional theory ; External pressure ; Ferrimagnetism ; Magnetic fields ; Magnetic properties ; Metallicity ; Molybdenum ; Perovskites ; Temperature effects</subject><ispartof>Journal of magnetism and magnetic materials, 2018-12, Vol.467, p.145</ispartof><rights>Copyright Elsevier BV Dec 1, 2018</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,777,781</link.rule.ids></links><search><creatorcontrib>Zu, Ningning</creatorcontrib><creatorcontrib>Li, Rui</creatorcontrib><creatorcontrib>Ai, Ruibo</creatorcontrib><title>Structural, electronic and magnetic properties and pressure-induced half metallicity in double perovskite Ca^sub 2^AOsO^sub 6^ (A?=?Cr, Mo)</title><title>Journal of magnetism and magnetic materials</title><description>Ca2CrOsO6 was synthesized recently and measured to be an insulating ferrimagnet with a high magnetic ordering temperature of 490 K. To design a half metal, we substituted Cr with Mo and performed an investigation on Ca2AOsO6 (A = Cr, Mo) by using the density functional theory. However, Ca2MoOsO6 is an insulator with a small band gap in one spin direction. By applying external pressure, the small gap can be closed, making Ca2MoOsO6 a compensated half metal. The estimated Tc for Ca2MoOsO6 under pressure is higher than the room temperature. Therefore, we expect that Ca2MoOsO6 would be promising compound for spintronic devices.</description><subject>Calcium</subject><subject>Chromium</subject><subject>Crystal structure</subject><subject>Density functional theory</subject><subject>External pressure</subject><subject>Ferrimagnetism</subject><subject>Magnetic fields</subject><subject>Magnetic properties</subject><subject>Metallicity</subject><subject>Molybdenum</subject><subject>Perovskites</subject><subject>Temperature effects</subject><issn>0304-8853</issn><issn>1873-4766</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2018</creationdate><recordtype>article</recordtype><recordid>eNqNTctKAzEUDaLg-PiHC24UOpDMeyOlDIob6ULXU9LMraamyZh7I_gN_rRD8QNcnTfnRGSqa8u8apvmVGSylFXedXV5Li6I9lJKVXVNJn5eOCbDKWq3AHRoOAZvDWg_wkG_eeRZTDFMGNkiHf0pIlGKmFs_JoMjvGu3gwOyds4ay99gPYwhbR3CvAtf9GEZodcDpS0Uw2pN6yNtBrhdLe-XfVzAc7i7Emc77Qiv__BS3Dw-vPZP-fz_mZB4sw8p-jnaFKqQqq3rSpX_a_0CNvRUzA</recordid><startdate>20181201</startdate><enddate>20181201</enddate><creator>Zu, Ningning</creator><creator>Li, Rui</creator><creator>Ai, Ruibo</creator><general>Elsevier BV</general><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20181201</creationdate><title>Structural, electronic and magnetic properties and pressure-induced half metallicity in double perovskite Ca^sub 2^AOsO^sub 6^ (A?=?Cr, Mo)</title><author>Zu, Ningning ; Li, Rui ; Ai, Ruibo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-proquest_journals_21201755413</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2018</creationdate><topic>Calcium</topic><topic>Chromium</topic><topic>Crystal structure</topic><topic>Density functional theory</topic><topic>External pressure</topic><topic>Ferrimagnetism</topic><topic>Magnetic fields</topic><topic>Magnetic properties</topic><topic>Metallicity</topic><topic>Molybdenum</topic><topic>Perovskites</topic><topic>Temperature effects</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zu, Ningning</creatorcontrib><creatorcontrib>Li, Rui</creatorcontrib><creatorcontrib>Ai, Ruibo</creatorcontrib><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of magnetism and magnetic materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zu, Ningning</au><au>Li, Rui</au><au>Ai, Ruibo</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structural, electronic and magnetic properties and pressure-induced half metallicity in double perovskite Ca^sub 2^AOsO^sub 6^ (A?=?Cr, Mo)</atitle><jtitle>Journal of magnetism and magnetic materials</jtitle><date>2018-12-01</date><risdate>2018</risdate><volume>467</volume><spage>145</spage><pages>145-</pages><issn>0304-8853</issn><eissn>1873-4766</eissn><abstract>Ca2CrOsO6 was synthesized recently and measured to be an insulating ferrimagnet with a high magnetic ordering temperature of 490 K. To design a half metal, we substituted Cr with Mo and performed an investigation on Ca2AOsO6 (A = Cr, Mo) by using the density functional theory. However, Ca2MoOsO6 is an insulator with a small band gap in one spin direction. By applying external pressure, the small gap can be closed, making Ca2MoOsO6 a compensated half metal. The estimated Tc for Ca2MoOsO6 under pressure is higher than the room temperature. Therefore, we expect that Ca2MoOsO6 would be promising compound for spintronic devices.</abstract><cop>Amsterdam</cop><pub>Elsevier BV</pub></addata></record>
fulltext fulltext
identifier ISSN: 0304-8853
ispartof Journal of magnetism and magnetic materials, 2018-12, Vol.467, p.145
issn 0304-8853
1873-4766
language eng
recordid cdi_proquest_journals_2120175541
source ScienceDirect Journals
subjects Calcium
Chromium
Crystal structure
Density functional theory
External pressure
Ferrimagnetism
Magnetic fields
Magnetic properties
Metallicity
Molybdenum
Perovskites
Temperature effects
title Structural, electronic and magnetic properties and pressure-induced half metallicity in double perovskite Ca^sub 2^AOsO^sub 6^ (A?=?Cr, Mo)
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-17T08%3A49%3A40IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Structural,%20electronic%20and%20magnetic%20properties%20and%20pressure-induced%20half%20metallicity%20in%20double%20perovskite%20Ca%5Esub%202%5EAOsO%5Esub%206%5E%20(A?=?Cr,%20Mo)&rft.jtitle=Journal%20of%20magnetism%20and%20magnetic%20materials&rft.au=Zu,%20Ningning&rft.date=2018-12-01&rft.volume=467&rft.spage=145&rft.pages=145-&rft.issn=0304-8853&rft.eissn=1873-4766&rft_id=info:doi/&rft_dat=%3Cproquest%3E2120175541%3C/proquest%3E%3Cgrp_id%3Ecdi_FETCH-proquest_journals_21201755413%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_pqid=2120175541&rft_id=info:pmid/&rfr_iscdi=true