A CaAl 2 Si 2 -Type Magnetic Semiconductor (Sr, Na)(Zn, Mn)2Sb2 Isostructural to 122-Type Iron-Based Superconductors

A new diluted magnetic semiconductor (Sr, Na)(Zn, Mn)2Sb2 has been successfully synthesized by doping Na and Mn into the parent compound SrZn 2 Sb 2 , which has a CaAl 2 Si 2 -type crystal structure (space group P 3 ¯ m 1 , No. 164, h P 5 ) isostructural to the 122-type iron-based superconductor CaFe 2 As 2 . No magnetic ordering has been observed when only spins are doped by (Zn, Mn) substitution. Only with carriers codoped by (Sr, Na) substitution, a ferromagnetic ordering occurs below the maximum Curie temperature T C ∼9.5 K. Comparing with other CaAl 2 Si 2 -type diluted magnetic semiconductors, we will show that negative chemical pressure suppresses the Curie temperature.

Weak Ferromagnetism in a One-Orbital Double-Exchange Model with Ising Spins for Cerium Oxides

Cerium oxides (ceria) are materials that exhibit weak, room-temperature ferromagnetism without d-electrons. The latter are usually responsible for magnetism in a variety of other oxide compounds, but the underlying mechanism for such a magnetic response in ceria without the d-electrons (d0-magnetism) is still under debate. A possible explanation is Zener double-exchange, where itinerant electrons polarize the localized spins via Hund-coupling as they hop from site to site. Here, we report magnetization and spin-spin correlation results using various values of the Hund-coupling in a one-orbital double-exchange model with Ising spins. In the real material with formula CeO2−x, the oxygen-deficient sites are denoted by x. These sites are related to the density of tetravalent cerium spins (the Ising spin background in our model), which we denoted as and set at N=0.50 in our simulations. Our results at this value of localized spin concentration show ferromagnetic tendencies at low carrier densities (n=0.25). However, ferromagnetism is lost at intermediate carrier concentrations (n=0.50) due to charge localization at high temperatures, as evident from density of states calculations and Monte Carlo snapshots. To our knowledge, our study based on a realistic Zener-type double exchange mechanism is a first in the study of magnetism in cerium oxides. Our results are also consistent with previous studies using similar Hamiltonians in the context of diluted magnetic semiconductors, where Heisenberg spins were used.

Influence of Ce, Nd, Eu and Tm Dopants on the Properties of InSe Monolayer: A First-Principles Study

Doping of foreign atoms may substantially alter the properties of the host materials, in particular low-dimension materials, leading to many potential functional applications. Here, we perform density functional theory calculations of two-dimensional InSe materials with substitutional doping of lanthanide atoms (Ce, Nd, Eu, Tm) and investigate systematically their structural, magnetic, electronic and optical properties. The calculated formation energy shows that the substitutional doping of these lanthanide atoms is feasible in the InSe monolayer, and such doping is more favorable under Se-rich than In-rich conditions. As for the structure, doping of lanthanide atoms induces visible outward movement of the lanthanide atom and its surrounding Se atoms. The calculated total magnetic moments are 0.973, 2.948, 7.528 and 1.945 μB for the Ce-, Nd-, Eu-, and Tm-doped systems, respectively, which are mainly derived from lanthanide atoms. Further band structure calculations reveal that the Ce-doped InSe monolayer has n-type conductivity, while the Nd-doped InSe monolayer has p-type conductivity. The Eu- and Tm-doped systems are found to be diluted magnetic semiconductors. The calculated optical response of absorption in the four doping cases shows redshift to lower energy within the infrared range compared with the host InSe monolayer. These findings suggest that doping of lanthanide atoms may open up a new way of manipulating functionalities of InSe materials for low-dimension optoelectronics and spintronics applications.