2024
DOI: 10.1088/1361-648x/ad2801
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Structure and stability of La- and hole-doped hafnia with/without epitaxial strain

Hao Cheng,
Hao Tian,
Jun-Ming Liu
et al.

Abstract: The significance of hafnia in the semiconductor industry has been amplified following the unearthing of its ferroelectric properties. We investigated the structure and electrical properties of La- and hole-doped HfO2 with/without epitaxial strain by first-principles calculations. It is found that the charge compensated defect with oxygen vacancy (LaHfVO) and uncompensated defect (LaHf), compared to the undoped case, make the ferroelectric orthorhombic Pca21 phase (o phase) more stable. Conversely, the electrons c… Show more

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