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High-Tc superconductivity in weakly electron-doped HfNCl

We investigate the magnetic and superconducting properties in electron-doped LixHfNCl. HfNCl is a band insulator that undergoes an insulator to superconductor transition upon doping at x≈0.13. The persistence of the insulating state for x

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Published in:	Physical review. B 2017-07, Vol.96 (2)
Main Authors:	Pamuk, Betül, Mauri, Francesco, Calandra, Matteo
Format:	Article
Language:	English
Subjects:	Doping Electron gas Electrons First principles Magnetic permeability Magnetic properties Superconductivity Two dimensional models
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creator	Pamuk, Betül Mauri, Francesco Calandra, Matteo
description	We investigate the magnetic and superconducting properties in electron-doped LixHfNCl. HfNCl is a band insulator that undergoes an insulator to superconductor transition upon doping at x≈0.13. The persistence of the insulating state for x
doi_str_mv	10.1103/PhysRevB.96.024518
format	article
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HfNCl is a band insulator that undergoes an insulator to superconductor transition upon doping at x≈0.13. The persistence of the insulating state for x<0.13 is due to an Anderson transition probably related to Li disorder. In the metallic and superconducting phase, LixHfNCl is a prototype two-dimensional two-valley electron gas with parabolic bands. By performing a model random phase approximation approach as well as first-principles range-separated Heyd-Scuseria-Ernzerhof (HSE06) calculations, we find that the spin susceptibility χs is strongly enhanced in the low-doping regime by the electron-electron interaction. Furthermore, in the low-doping limit, the exchange interaction renormalizes the intervalley electron-phonon coupling and results in a strong increase of the superconducting critical temperature for x<0.15. On the contrary, for x>0.15, Tc is approximately constant, in agreement with experiments. At x=0.055 we found that Tc can be as large as 40 K, suggesting that the synthesis of cleaner samples of LixHfNCl could remove the Anderson insulating state competing with superconductivity and generate a high-Tc superconductor.</description><identifier>ISSN: 2469-9950</identifier><identifier>EISSN: 2469-9969</identifier><identifier>DOI: 10.1103/PhysRevB.96.024518</identifier><language>eng</language><publisher>College Park: American Physical Society</publisher><subject>Doping ; Electron gas ; Electrons ; First principles ; Magnetic permeability ; Magnetic properties ; Superconductivity ; Two dimensional models</subject><ispartof>Physical review. 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In the metallic and superconducting phase, LixHfNCl is a prototype two-dimensional two-valley electron gas with parabolic bands. By performing a model random phase approximation approach as well as first-principles range-separated Heyd-Scuseria-Ernzerhof (HSE06) calculations, we find that the spin susceptibility χs is strongly enhanced in the low-doping regime by the electron-electron interaction. Furthermore, in the low-doping limit, the exchange interaction renormalizes the intervalley electron-phonon coupling and results in a strong increase of the superconducting critical temperature for x<0.15. On the contrary, for x>0.15, Tc is approximately constant, in agreement with experiments. At x=0.055 we found that Tc can be as large as 40 K, suggesting that the synthesis of cleaner samples of LixHfNCl could remove the Anderson insulating state competing with superconductivity and generate a high-Tc superconductor.</description><subject>Doping</subject><subject>Electron gas</subject><subject>Electrons</subject><subject>First principles</subject><subject>Magnetic permeability</subject><subject>Magnetic properties</subject><subject>Superconductivity</subject><subject>Two dimensional models</subject><issn>2469-9950</issn><issn>2469-9969</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><recordid>eNo9jVFLwzAURoMoOOb-gE8FnzNv0uwm91GLWmGoSN9HmqSus7S1aSf99w4Un77zcs7H2LWAtRCQ3r7t5_gejvdrwjVItRHmjC2kQuJESOf_vIFLtorxAAACgTTQgpm8_tjzwiVx6sPgutZPbqyP9TgndZt8B_vZzEloghuHruW-64NP8uola67YRWWbGFZ_u2TF40OR5Xz7-vSc3W15T2bkKB0igcXKaRBWGVOC9JZSUOClkMqQ9gpQGWdKAjLaVkqSrjwAlk6nS3bzm-2H7msKcdwdumloT4-7kw5CK4My_QEUkklG</recordid><startdate>20170727</startdate><enddate>20170727</enddate><creator>Pamuk, Betül</creator><creator>Mauri, Francesco</creator><creator>Calandra, Matteo</creator><general>American Physical Society</general><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>H8D</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20170727</creationdate><title>High-Tc superconductivity in weakly electron-doped HfNCl</title><author>Pamuk, Betül ; Mauri, Francesco ; Calandra, Matteo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p98t-62c6690a6fc701a488b02da93040d2124897d40648c8b90987af4297fd006bc73</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>Doping</topic><topic>Electron gas</topic><topic>Electrons</topic><topic>First principles</topic><topic>Magnetic permeability</topic><topic>Magnetic properties</topic><topic>Superconductivity</topic><topic>Two dimensional models</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Pamuk, Betül</creatorcontrib><creatorcontrib>Mauri, Francesco</creatorcontrib><creatorcontrib>Calandra, Matteo</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><jtitle>Physical review. B</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Pamuk, Betül</au><au>Mauri, Francesco</au><au>Calandra, Matteo</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>High-Tc superconductivity in weakly electron-doped HfNCl</atitle><jtitle>Physical review. B</jtitle><date>2017-07-27</date><risdate>2017</risdate><volume>96</volume><issue>2</issue><issn>2469-9950</issn><eissn>2469-9969</eissn><abstract>We investigate the magnetic and superconducting properties in electron-doped LixHfNCl. HfNCl is a band insulator that undergoes an insulator to superconductor transition upon doping at x≈0.13. The persistence of the insulating state for x<0.13 is due to an Anderson transition probably related to Li disorder. In the metallic and superconducting phase, LixHfNCl is a prototype two-dimensional two-valley electron gas with parabolic bands. By performing a model random phase approximation approach as well as first-principles range-separated Heyd-Scuseria-Ernzerhof (HSE06) calculations, we find that the spin susceptibility χs is strongly enhanced in the low-doping regime by the electron-electron interaction. Furthermore, in the low-doping limit, the exchange interaction renormalizes the intervalley electron-phonon coupling and results in a strong increase of the superconducting critical temperature for x<0.15. On the contrary, for x>0.15, Tc is approximately constant, in agreement with experiments. At x=0.055 we found that Tc can be as large as 40 K, suggesting that the synthesis of cleaner samples of LixHfNCl could remove the Anderson insulating state competing with superconductivity and generate a high-Tc superconductor.</abstract><cop>College Park</cop><pub>American Physical Society</pub><doi>10.1103/PhysRevB.96.024518</doi></addata></record>
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subjects	Doping Electron gas Electrons First principles Magnetic permeability Magnetic properties Superconductivity Two dimensional models
title	High-Tc superconductivity in weakly electron-doped HfNCl
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