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(a), (b) Sub-stiochiometric defect at Ge:GeO2 interface and its associated local density of states. (c), (d) Structure and PDOS of a reconstructed oxygen divacancy at a Ge:HfO2 interface, becoming Ge–Hf bonds.
Epitaxial interface models of (a) Ge:La2Ge2O7, (b) Ge:La2GeO5, (c) Ge:HfGeO4, (d) (111)Ge:(001)Ge3N4, and (e) Ge:Al2O3. Blue balls = Hf and purple balls = La. Hf atom in (a) replaces one La atom in order to satisfy an electron counting rule. (d) Deep blue ball = N, (e) pink balls = Al.
PDOS at (a) Ge:La2Ge2O7, (b) Ge:La2GeO5, (c) Ge:HfGeO4, (d) Ge:Ge3N4 and Ge:Al2O3 interfaces.
Calculated phase diagrams of GeO2-HfO2 and GeO2-La2O3 based on their silicate equivalents.28
Summary of sX and GGA band gaps of La2Ge2O7, La2GeO5, HfGeO4, pyroclore La2Ge2O7, Ge3N4, and Al2O3.
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