Metal-Insulator in semiconductor surfaces

Just published! Quasi-One-Dimensional Metal-Insulator Transitions in Compound Semiconductor Surfaces.

Existing examples of Peierls-type 1D systems on surfaces involve depositing metallic overlayers on semiconducting substrates, in particular, at step edges. Here we propose a new class of Peierls system on the (10-10) surface of metal-anion wurtzite semiconductors. When the anions are bonded to hydrogen or lithium atoms, we obtain rows of threefold coordinated metal atoms that act as one-atom-wide metallic structures. First-principles calculations show that the surface is metallic, and below a certain critical temperature the surface will condense to a semiconducting state. The idea of surface scaffolding is introduced in which the rows are constrained to move along simple up-down and/or sideways displacements, mirroring the paradigm envisioned in Peierls’s description. We predict that this type of insulating state should be visible in the partially hydrogenated (10-10) surface of many wurtzite compounds.

2016_prl_zhao

Ball-and-stick model of a GaN surface with H or Li atoms. Our test cases for metal-insulator phase transition. [Zhao et al Phys. Rev. Lett. 117, 116101]

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This entry was posted in ab initio, functional materials, III-V materials, publication, science, Zeila and tagged , , . Bookmark the permalink.

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