Boron position-dependent surface reconstruction and electronic states of boron-doped diamond(111) surfaces: an ab initio study

Boron-doped diamond (BDD) has attracted much attention in semi-/superconductor physics and electrochemistry, where the surface structures and electronic states play crucial roles. Herein, we systematically examine the structural and electronic properties of the unterminated and H-terminated diamond(...

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Veröffentlicht in:	Physical chemistry chemical physics : PCCP 2021-08, Vol.23 (29), p.15628-15634
Hauptverfasser:	The Anh, Le, Catalan, Francesca Celine I., Kim, Yousoo, Einaga, Yasuaki, Tateyama, Yoshitaka
Format:	Artikel
Sprache:	eng
Schlagworte:	Boron Density functional theory Diamonds Electrochemistry Electron states Electronic properties Graphitization P-type semiconductors Surface energy Surface stability Valence band
Online-Zugang:	Volltext
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