Coexistence of ferroelectricity and ferromagnetism in vanadium-doped HfO2
Publikation: Beitrag in Fachzeitschrift › Forschungsartikel › Beigetragen › Begutachtung
Beitragende
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
| Originalsprache | Englisch |
|---|---|
| Aufsatznummer | 114415 |
| Fachzeitschrift | Physical review materials |
| Jahrgang | 9 |
| Ausgabenummer | 11 |
| Publikationsstatus | Veröffentlicht - Nov. 2025 |
| Peer-Review-Status | Ja |
Externe IDs
| ORCID | /0000-0002-6574-7848/work/211720600 |
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