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 Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

GaN based high electron mobility transistors show promise in numerous deviceapplications which elicits the need for accurate models of bulk, surface, andinterface electronic properties. We detail here a hybrid density functionaltheory study of zinc blende (zb) GaN and diamond bulk and surface properties,and zb GaN on diamond interfaces using slab supercell models. Details areprovided on the dependence of electronic properties with respect to supercellsize, the use of pseudo-hydrogen to passivate the bottom GaN layer, and dipolecorrections. The large bulk modulus of diamond provides a templating structurefor GaN to grow upon, where a large lattice mismatch is accounted for throughthe inclusion of a cationic Ga adlayer. Looking at both type I and II surfacesand interfaces of GaN shows the instability of zb GaN without an adlayer (typeII), where increased size, pseudo-hydrogen passivation and dipole correctionsdo not remove the spurious interaction between the top and bottom layers intype II GaN. Layer dependent density of states, local potential differences,and charge density differences show that the type I interface (with a Gaadlayer) is stable with an adhesion energy of 0.704 eV/{\AA}2 (4.346 J/m2);interestingly, the diamond charge density intercalates into the first layer ofGaN, which was seen experimentally for wurtzite GaN grown over diamond. Thetype II interface is shown to be unstable which implies that, to form a stable,thin-film zb interface between GaN and diamond, the partial pressure oftrimethylgallium must be controlled to ensure a Ga layer exists both on the topand bottom layer of the GaN thin film atop the diamond. We believe our resultscan shed light towards a better understanding of the GaN/diamond multifacetedinterface present in the GaN overgrowth on diamond samples.

Hybrid density functional theory study on zinc blende GaN and diamond  surfaces and interfaces: Effects of size, hydrogen passivation and dipole  corrections