AI Article Synopsis
- Hafnia's ferroelectric properties are crucial for advancements in the semiconductor industry, highlighting its growing importance.
- The study explored the effects of La and hole doping on the structure and electrical properties of HfO under different conditions using first-principles calculations.
- Findings indicate that specific defects and compressive strain can enhance the stability of the ferroelectric phase, offering new insights into improving hafnia's ferroelectricity for practical applications.
Article 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 HfOwith/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 orthorhombicPca21phase (phase) more stable. Conversely, the electrons compensated defect (LaHf+) makes the nonpolar monoclinicP21/cphase (phase) more stable. Furthermore, both pure hole doping (without ions substituent) and compressive strain can stabilize thephase. Our work offers a new perspective on enhancing the ferroelectricity of hafnia.
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| http://dx.doi.org/10.1088/1361-648X/ad2801 | DOI Listing |
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