2022
DOI: 10.1209/0295-5075/aca42c
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Ferroelectric and antiferroelectric distortions coupling of nitride perovskite LaWN3 under epitaxial strain using first-principles calculations

Abstract: LaWN3, a novel nitride perovskite, has been synthesized and its piezoelectric properties has been investigated (Talley, et al, Science,374,1488-1491(2021)). However, the understanding of its ferroelectric properties under the external strain is still lacking. Here, the misfit-strain-dependent coupling between antiferrodistorions (AFD) and ferroelectric (FE) distortions has been studied by using the first-principle approaches. It can be observed that AFD and FE can work cooperatively with each other as the comp… Show more

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Cited by 3 publications
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“…The first nitride perovskite TaThN 3 was reported in 1995 . Since then, several nitride perovskites have been theoretically predicted to be thermodynamically stable and exhibit large ferroelectric polarizations. Since 2021, LaWN 3 , LaReN 3 , CeMoN 3 , and CeWN 3 nitride perovskites have been experimentally synthesized one after another, which opens the door to the synthesis of more nitride (or other pnictides) perovskites.…”
mentioning
confidence: 99%
“…The first nitride perovskite TaThN 3 was reported in 1995 . Since then, several nitride perovskites have been theoretically predicted to be thermodynamically stable and exhibit large ferroelectric polarizations. Since 2021, LaWN 3 , LaReN 3 , CeMoN 3 , and CeWN 3 nitride perovskites have been experimentally synthesized one after another, which opens the door to the synthesis of more nitride (or other pnictides) perovskites.…”
mentioning
confidence: 99%