Matches in SemOpenAlex for { <https://semopenalex.org/work/W4376275767> ?p ?o ?g. }
- W4376275767 abstract "Applying pressure around megabar is indispensable in the synthesis of high-temperature superconducting hydrides, such as SH$_3$ and LaH$_{10}$. Stabilizing the high-pressure phase of hydride around ambient condition is a severe challenge. Based on the density-functional theory calculations, we give the first example that the structure of hydride CaBH$_5$ predicted above 280 GPa, can maintain its dynamical stability with pressure down to 1 GPa, by modulating the charge transfer from metal atoms to hydrogen atoms via the replacement of Ca with alkali metal atoms e.g. Cs, in which the [BH$_5$]$^{2-}$ anion shrinks along $c$ axis and expands in the $ab$ plane, experiencing an anisotropic virtual high pressure. This mechanism, namely charge transfer modulated virtual high pressure effect, plays a vital role in enhancing the structural stability and leading to the reemergence of ambient-pressure-forbidden [BH$_5$]$^{2-}$ anion around 1 GPa in CsBH$_5$. Moreover, we find that CsBH$_5$ is a strongly coupled superconductor, with transition temperature as high as 98 K, well above the liquid-nitrogen temperature. Our findings provide a novel mechanism to reduce the critical pressure required by hydrogen-rich compound without changing its crystal structure, and also shed light on searching ambient-pressure high-temperature superconductivity in metal borohydrides." @default.
- W4376275767 created "2023-05-13" @default.
- W4376275767 creator A5009345715 @default.
- W4376275767 creator A5028174894 @default.
- W4376275767 creator A5043563677 @default.
- W4376275767 creator A5052200968 @default.
- W4376275767 creator A5053164931 @default.
- W4376275767 creator A5082102844 @default.
- W4376275767 creator A5082236680 @default.
- W4376275767 creator A5089632067 @default.
- W4376275767 date "2023-05-12" @default.
- W4376275767 modified "2023-10-16" @default.
- W4376275767 title "Stabilizing a hydrogen-rich superconductor at 1 GPa by charge transfer modulated virtual high-pressure effect" @default.
- W4376275767 cites W1550186202 @default.
- W4376275767 cites W1644574504 @default.
- W4376275767 cites W1668507869 @default.
- W4376275767 cites W1963957450 @default.
- W4376275767 cites W1969463549 @default.
- W4376275767 cites W1976346764 @default.
- W4376275767 cites W1981368803 @default.
- W4376275767 cites W1988089558 @default.
- W4376275767 cites W1996029583 @default.
- W4376275767 cites W1997034469 @default.
- W4376275767 cites W2007395042 @default.
- W4376275767 cites W2011679387 @default.
- W4376275767 cites W2022085321 @default.
- W4376275767 cites W2030330123 @default.
- W4376275767 cites W2051120893 @default.
- W4376275767 cites W2051890047 @default.
- W4376275767 cites W2064807075 @default.
- W4376275767 cites W2070873799 @default.
- W4376275767 cites W2076462975 @default.
- W4376275767 cites W2079105963 @default.
- W4376275767 cites W2083222334 @default.
- W4376275767 cites W2084895780 @default.
- W4376275767 cites W2089221083 @default.
- W4376275767 cites W2120145199 @default.
- W4376275767 cites W2124820885 @default.
- W4376275767 cites W2150687058 @default.
- W4376275767 cites W2152051643 @default.
- W4376275767 cites W2339223279 @default.
- W4376275767 cites W2344551858 @default.
- W4376275767 cites W2681350253 @default.
- W4376275767 cites W2888364746 @default.
- W4376275767 cites W2899007123 @default.
- W4376275767 cites W2933118606 @default.
- W4376275767 cites W2971173954 @default.
- W4376275767 cites W3002557233 @default.
- W4376275767 cites W3015750763 @default.
- W4376275767 cites W3031628791 @default.
- W4376275767 cites W3098955174 @default.
- W4376275767 cites W3102157866 @default.
- W4376275767 cites W3104077119 @default.
- W4376275767 cites W3104116474 @default.
- W4376275767 cites W3157732185 @default.
- W4376275767 cites W3176962364 @default.
- W4376275767 cites W3180165141 @default.
- W4376275767 cites W3184031106 @default.
- W4376275767 cites W3199516804 @default.
- W4376275767 cites W3200244580 @default.
- W4376275767 cites W4210300421 @default.
- W4376275767 cites W4221022734 @default.
- W4376275767 cites W4221146966 @default.
- W4376275767 cites W4249625304 @default.
- W4376275767 cites W4281729000 @default.
- W4376275767 cites W4281903242 @default.
- W4376275767 cites W4288052132 @default.
- W4376275767 cites W4308474391 @default.
- W4376275767 cites W4318987706 @default.
- W4376275767 doi "https://doi.org/10.1103/physrevb.107.l180501" @default.
- W4376275767 hasPublicationYear "2023" @default.
- W4376275767 type Work @default.
- W4376275767 citedByCount "0" @default.
- W4376275767 crossrefType "journal-article" @default.
- W4376275767 hasAuthorship W4376275767A5009345715 @default.
- W4376275767 hasAuthorship W4376275767A5028174894 @default.
- W4376275767 hasAuthorship W4376275767A5043563677 @default.
- W4376275767 hasAuthorship W4376275767A5052200968 @default.
- W4376275767 hasAuthorship W4376275767A5053164931 @default.
- W4376275767 hasAuthorship W4376275767A5082102844 @default.
- W4376275767 hasAuthorship W4376275767A5082236680 @default.
- W4376275767 hasAuthorship W4376275767A5089632067 @default.
- W4376275767 hasBestOaLocation W43762757672 @default.
- W4376275767 hasConcept C121332964 @default.
- W4376275767 hasConcept C143895478 @default.
- W4376275767 hasConcept C145148216 @default.
- W4376275767 hasConcept C149288129 @default.
- W4376275767 hasConcept C159467904 @default.
- W4376275767 hasConcept C178790620 @default.
- W4376275767 hasConcept C184779094 @default.
- W4376275767 hasConcept C185592680 @default.
- W4376275767 hasConcept C188082385 @default.
- W4376275767 hasConcept C191897082 @default.
- W4376275767 hasConcept C192562407 @default.
- W4376275767 hasConcept C198091228 @default.
- W4376275767 hasConcept C26873012 @default.
- W4376275767 hasConcept C2777961443 @default.
- W4376275767 hasConcept C29621489 @default.
- W4376275767 hasConcept C512968161 @default.
- W4376275767 hasConcept C54101563 @default.