Combining experimental investigations and first-principles density functional theory (DFT) calculations, we report physical and magnetic properties of Gd-substituted YCoMnOdouble perovskite, which are strongly influenced by antisite-disorder-driven spin configurations. On Gd doping, Co and Mn ions are present in mixed-valence (Co, Co, Mnand Mn) states. Multiple magnetic transitions have been observed: (i) paramagnetic to ferromagnetic transition is found to occur at= 95.5 K, (ii) antiferromagnetic transition at= 47 K is driven by3d-4fpolarization and antisite disorder present in the sample, (iii) change in magnetization below⩽20 K, primarily originating from Gd ordering, as revealed from our DFT calculations. AC susceptibility measurement confirms the absence of any spin-glass or cluster-glass phases in this material. A significantly large exchange bias effect (EB= 1.07 kOe) is found to occur below 47 K due to interfaces of FM and AFM clusters created by antisite-disorder.
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http://dx.doi.org/10.1088/1361-648X/ac8a35 | DOI Listing |
Nat Commun
November 2024
School of Chemical Engineering and Technology, Tianjin University, Tianjin, China.
J Phys Condens Matter
November 2024
School of Materials Sciences, Indian Association for the Cultivation of Science, Jadavpur, Kolkata 700032, India.
J Am Chem Soc
November 2024
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, China.
Open-circuit voltage deficits are limiting factors in kesterite solar cells. Addressing this issue by suppressing band tailing and nonradiative charge recombination is essential for enhancing the performance. We employ ab initio nonadiabatic molecular dynamics to elucidate the origin of band tailing and charge losses and propose a mitigation strategy.
View Article and Find Full Text PDFACS Nano
July 2024
Faculty of Informatics and Engineering, The University of Electro-Communications, 1-5-1 Chofugaoka, Chofu, Tokyo 182-8585, Japan.
The development of tin-lead alloyed halide perovskite nanocrystals (PNCs) is highly desirable for creating ultrastable, eco-friendly optoelectronic applications. However, the current incorporation of tin into the lead matrix results in severe photoluminescence (PL) quenching. To date, the precise atomic-scale structural origins of this quenching are still unknown, representing a significant barrier to fully realizing the potential of these materials.
View Article and Find Full Text PDFAdv Sci (Weinh)
September 2024
Dipartimento di Scienze Matematiche, Fisiche e Informatiche, Universitá di Parma, Parco delle Scienze 7A, Parma, I-43124, Italy.
Magnetic topological insulators (TIs) herald a wealth of applications in spin-based technologies, relying on the novel quantum phenomena provided by their topological properties. Particularly promising is the (MnBiTe)(BiTe) layered family of established intrinsic magnetic TIs that can flexibly realize various magnetic orders and topological states. High tunability of this material platform is enabled by manganese-pnictogen intermixing, whose amounts and distribution patterns are controlled by synthetic conditions.
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