English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Fe doped GST has shown experimentally the ability to alter its magneticproperties by phase change. In this work, we use screened exchange hybridfunctional to study the single neutral substitutional 3d transition metal (TM)in crystalline GeTe and GeSb2Te4. By curing the problem of local densityfunctional (LDA) such as over delocalization of the 3d states, we find that Feon Ge/Sb site has its majority d states fully occupied while its minority dstates are empty, which is different than previous predicted electronicconfiguration by LDA. From early transition metal Cr to heavier Ni, themajority 3d states are gradually populated until fully occupied and then theminority 3d states begin to be filled. In order to study the magnetic contrast,we use lower symmetry crystalline GeTe and GeSb2Te4 as the amorphous phases,respectively, which has been proposed to model the medium range disordering. Wefind that only Co substitution in r-GeSb2Te4 and s-GeSb2Te4 shows magneticcontrast. The experimental magnetic contrast for Fe doped GST may be due toadditional TM-TM interaction, which is not included in our model. It can alsobe possible that these lower symmetry crystalline models are not sufficient tocharacterize the magnetic properties of real 3d TM doped amorphous GST.

Single neutral substitutional 3d-transition metal in GeTe and GeSb2Te4 by the screened exchange functional