Coexistence of ferroelectricity and ferromagnetism in vanadium-doped HfO2
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Contributors
Abstract
Ab initio density-functional calculations show that orthorhombic Pca21 hafnia HfO2 mixed with vanadium at low concentration is a ferroelectric and ferromagnetic insulator. The multiorbital degeneracy of singly-occupied V states in the nominally 4+ ionic state is broken by magnetism, reduced symmetry, and local distortion, causing a single one-electron majority state per V atom to be occupied. A gap of order 1 eV thus survives at all V concentrations, and intrinsic polarization is preserved at the level of 60-70% of the undoped-HfO2 value. Magnetization is found to increase linearly with V content, with values of 30-40 emu/cm3 at concentrations near the end of the stability range (∼16% V).
Details
| Original language | English |
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| Article number | 114415 |
| Journal | Physical review materials |
| Volume | 9 |
| Issue number | 11 |
| Publication status | Published - Nov 2025 |
| Peer-reviewed | Yes |
External IDs
| ORCID | /0000-0002-6574-7848/work/211720600 |
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