Superexchange interaction in insulating EuZn2P2

Physical review. B./Physical review. B, Journal Year: 2023, Volume and Issue: 108(5)

Published: Aug. 2, 2023

We report magnetic and transport properties of single-crystalline EuZn$_{2}$P$_{2}$, which has trigonal CaAl$_2$Si$_2$-type crystal structure orders antiferromagnetically at $\approx$23~K. Easy $ab$-plane magneto-crystalline anisotropy was confirmed from the magnetization isotherms, measured with a field applied along different crystallographic directions ($ab$-plane $c$-axis). Positive Curie-Weiss temperature indicates dominating ferromagnetic correlations. Electrical resistivity displays insulating behavior band-gap $\approx\,$0.177~eV, decreases to $\approx\,$0.13~eV upon application high field. explained intriguing presence interactions in an intermetallic insulator by mechanism extended superexchange, phosphorus as anion mediator, is further supported our analysis charge spin density distributions. constructed effective Heisenberg model, exchange parameters derived \textit{ab initio} DFT calculations, employed it Monte-Carlo simulations, correctly reproduced experimental value N\'eel temperature.

Language: Английский

First-Principles Study of the Magnetic and Electronic Structure of NdB4

Materials, Journal Year: 2023, Volume and Issue: 16(7), P. 2627 - 2627

Published: March 26, 2023

Due to their magnetic and physical properties, rare earth borides have been applied a variety of critical technologies. In particular, tetraborides are more abundant as frustrated antiferromagnets. Here, the atomic structures, electronic structures NdB4 studied by first-principle calculations. The ground state structure is determined. Moreover, small energy difference between different means that there may be than one coexist. One can glean from d orbital Nd strongly hybridized with p B, f electron highly localized. computational results reveal complexity provide theoretical basis for studying NdB4.

Language: Английский

Study of electronic and transport properties of some topological semimetals XPtBi(X=Gd,Nd,Y) compounds

Journal of Physics and Chemistry of Solids, Journal Year: 2023, Volume and Issue: 185, P. 111743 - 111743

Published: Nov. 3, 2023

Language: Английский