Elucidating correlation-driven insulating state in an effective spin-½ antiferromagnet NdVO.

The= ½ state: a result of interplay of strong electronic correlations () with spin-orbit coupling (SOC) and crystal field splitting, offers a platform in the research of quantum materials. In this context, 4rare-earth based materials offer a fertile playground. Here, strong experimental and theoretical evidences for a= ½ state is established in a three-dimensional spin system NdVO. Magnetic measurements show the signatures of a SOC driven= ½ state along with the presence of antiferromagnetic (AFM) interaction between Ndmoments, whereas, heat capacity reveals the presence of an AFM ordering around 0.8 K, within this state. An entropy of Rln2 (equivalent to= ½) is released around 4 K which implies the presence of= ½ state at low temperatures. Total energy calculations within the density functional theory (DFT) framework reflect the central role of SOC in driving the Ndions to host such a state with AFM correlations between them, which is in agreement with experimental results. Further, DFT + SOC calculations with and without the inclusion of, points that electron-electron correlations give rise to the insulating state making NdVOa potential candidate for-driven correlated Mott insulator.