arXiv subjects

Yanyan Zhao

Publications and source records attributed to Yanyan Zhao.

57 records · Page 4Linked to original sources

arXiv2020

Enhanced Ferromagnetism of CrI3 Bilayer by Self-Intercalation

Two-dimensional (2D) ferromagnets with high Curie temperature have long been the pursuit for electronic and spintronic applications. CrI3 is a rising star of intrinsic 2D ferromagnets, however, it suffers from weak exchange coupling. Here we propose a general strategy of self-intercalation to achieve enhanced ferromagnetism in bilayer CrI3. We showed that filling either Cr or I atoms into the van der Waals gap of stacked and twisted CrI3 bilayers can induce the double exchange effect and significantly strengthen the interlayer ferromagnetic coupling. According to our first-principles calculations, the intercalated native atoms act as covalent bridge between two CrI3 layers and lead to discrepant oxidation states for the Cr atoms. These theoretical results offer a facile route to achieve high-Curie-temperature 2D magnets for device implementation.

cond-mat.mtrl-sci↗

arXiv2020

Kondo holes in the 2D itinerant Ising ferromagnet Fe3GeTe2

Heavy fermion (HF) states emerge in correlated quantum materials due to the interplay between localized magnetic moments and itinerant electrons, but rarely appear in 3d-electron systems due to high itinerancy of d-electrons. Here, an anomalous enhancement of Kondo screening is observed at the Kondo hole of local Fe vacancies in Fe3GeTe2 which is a recently discovered 3d-HF system featuring of Kondo lattice and two-dimensional itinerant ferromagnetism. An itinerant Kondo-Ising model is established to reproduce the experimental results which provides insight of the competition between Ising ferromagnetism and Kondo screening. This work explains the microscopic origin of the d-electron HF states and inspires study of the enriched quantum many-body phenomena with Kondo holes in Ising ferromagnets.

cond-mat.mtrl-sci↗

arXiv2020

Selective C-C Coupling by Spatially Confined Dimeric Metal Centers

Direct conversion of carbon dioxide (CO2) to high-energy fuels and high-value chemicals is a fascinating sustainable strategy. For most of the current electrocatalysts for CO2 reduction, however, multi-carbon products are inhibited by large overpotentials and low selectivity. For practical applications, there remains a big gap of knowledge in proper manipulation of the C-C coupling process. Herein, we exploit dispersed 3d transition metal dimers as spatially confined dual reaction centers for selective reduction of CO2 to liquid fuels. Various nitrogenated holey carbon monolayers are shown to be promising templates to stabilize these metal dimers and dictate their electronic structures, allowing precise control of the catalytic activity and product selectivity. By comprehensive first-principles calculations, we screen the suitable transition metal dimers that universally have high activity for ethanol (C2H5OH). Furthermore, remarkable selectivity for C2H5OH against other C1 and C2 products is found for Fe2 dimer anchored on C2N monolayer. The correlation between the activity and d band center of the supported metal dimer as well as the role of electronic coupling between the metal dimer and the carbon substrates are thoroughly elucidated.

physics.chem-ph↗