1 research outputs found
Two-Dimensional Transition Metal Boron Cluster Compounds (MB<sub><i>n</i></sub>enes) with Strain-Independent Room-Temperature Magnetism
Two-dimensional
(2D) metal borides (MBenes) with unique electronic
structures and physicochemical properties hold great promise for various
applications. Given the abundance of boron clusters, we proposed employing
them as structural motifs to design 2D transition metal boron cluster
compounds (MBnenes), an extension of MBenes.
Herein, we have designed three stable MBnenes (M4(B12)2, M = Mn, Fe, Co)
based on B12 clusters and investigated their electronic
and magnetic properties using first-principles calculations. Mn4(B12)2 and Co4(B12)2 are semiconductors, while Fe4(B12)2 exhibits metallic behavior. The unique structure in
MBnenes allows the coexistence of direct
exchange interactions between adjacent metal atoms and indirect exchange
interactions mediated by the clusters, endowing them with a Néel
temperature (TN) up to 772 K. Moreover,
both Mn4(B12)2 and Fe4(B12)2 showcase strain-independent room-temperature
magnetism, making them potential candidates for spintronics applications.
The MBnenes family provides a fresh avenue
for the design of 2D materials featuring unique structures and excellent
physicochemical properties