Theoretical investigations on exploring Si-based heterostructures with cubic and ground-state perovskites

First principles calculations in the framework of density functional theory (DFT) are performed to exploit replaceable perovskite oxides against the instability of traditional cubic SrTiO3 grown on silicon substrate. In this work, we consider more thermostable CaTiO3 and CaZrO3 with cubic and ground...

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Bibliographic Details
Main Authors: Yunting Liang, Yajun Zhang, Wenyi Tong, Philippe Ghosez, Eric Bousquet, Matjaž Spreitzer
Format: Article
Language:English
Published: Elsevier 2024-11-01
Series:Results in Physics
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379724007071
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