Related papers: Spin Density Functional Based Search for Half-Meta…
The title compounds have dominant ferromagnetic (FM) exchange interactions within one-dimensional (1D) half-twist ladders of s =1/2 Cu2^{+} ions and antiferromagnetic(AFM) interactions between ladders, leading to ordered 3D phases at…
New materials are currently sought for use in spintronics applications. Ferromagnetic materials with half metallic properties are valuable in this respect. Here we present the electronic structure and magnetic properties of binary compounds…
Two-dimensional Cr2N MXene as well as the surface-passivated Cr2NF2, Cr2N(OH)2 and Cr2NO2 are investigated by using density functional theory. The Cr2N is an anti-ferromagnetic metal. The F atom or OH group-passivation does not change the…
We study experimentally and theoretically the electronic and magnetic properties of two insulating double perovskites that show similar atomic and electronic structure, but different magnetic properties. In magnetization measurements,…
Ac and dc magnetization and heat-capacity (C) measurements performed on the pseudo-one-dimensional compound Sr$_3$CuIrO$_6$ reveal a competition between antiferromagnetic (AF) and ferromagnetic (F) exchange couplings, as evidenced by…
Half-metallic ferromagnets (HMF) are on one of the most promising materials in the field of spintronics due to their unique band structure consisting of one spin sub-band having metallic characteristics along with another sub-band with…
We reveal by first-principles calculations that in iron pnictides Sr4M2O6CrFeAs2 (M=Sc, Cr) the two-dimensional CrFeAs2 layers exhibit a robust band structure of half-metallic antiferromagnet (HMAFM). Due to the thick blocking layer, the…
Spin-1/2 kagome antiferromagnet (AFM) is one of the most studied models in frustrated magnetism since it is a promising candidate to host exotic spin liquid states. However, despite numerous studies using both analytical and numerical…
The field of double perovskites is now advancing to three magnetic elements on the A, B and B$'$ sites. A series of iridium-based double perovskite compounds, $Ln_2$CoIrO$_6$ ($Ln$ = Eu, Tb, Ho) with three magnetic elements were synthesized…
We present a comprehensive theory of the temperature- and disorder-dependence of half-metallic ferrimagnetism in the double perovskite Sr$_2$FeMoO$_6$ (SFMO) with $T_c$ above room temperature. We show that the magnetization $M(T)$ and…
To realize room temperature ferromagnetic (FM) semiconductors is still a challenge in spintronics. Many antiferromagnetic (AFM) insulators and semiconductors with high Neel temperature $T_N$ are obtained in experiments, such as LaFeO$_3$,…
We consider a model of the double perovskite Ba2FeReO6, a room temperature ferrimagnet with correlated and spin-orbit coupled Re t2g electrons moving in the background of Fe moments stabilized by Hund's coupling. We show that for such 3d/5d…
EuMnSb$_2$ is a candidate topological material which can be tuned towards a Weyl semimetal, but there are differing reports for its antiferromagnetic (AFM) phases. The coupling of bands dominated by pure Sb layers hosting topological…
We present comprehensive high magnetic field studies of the alternating weakly coupled ferro-antiferromagnetic (FM-AFM) spin-$1/2$ chain compound Cu$_2$(OH)$_3$Br, with the structure of the natural mineral botallackite. Our measurements…
Electronic structure calculation were used to predict a new material for spintronic applications. Co2Mn0.5Fe0.5Si is one example which is stable against on-site correlation and disorder effects due to the position of the Fermi energy in the…
The antiferromagnetic (AFM) state has been investigated in the three heavy-fermion compounds URu2Si2, UPd2Al3, and UNi2Al3 by measuring dV/dI(V) curves of point contacts at different temperatures (1.5-20 K) and magnetic fields (0-28 T). The…
Two-dimensional (2D) intrinsic half-metallic materials are of great interest to explore the exciting physics and applications of nanoscale spintronic devices, but no such materials have been experimentally realized. Using first-principles…
We investigate the structural, magnetic and spin-state transitions, and magnetocaloric properties of Sr$_{2-x}$La$_x$CoNbO$_6$ ($x=$ 0--1) double perovskites. The structural transition from tetragonal to monoclinic phase at $x$ $\geqslant$…
Magnetic refrigeration at room-temperature is a technology that could potentially be more environmentally-friendly, efficient and affordable than traditional refrigeration. The search for suitable materials for magnetocaloric refrigeration…
Density functional methods have been used to study the crystal, electronic and magnetic structures of new ordered double perovskites A2NRuO6 (A2 = Ba2, BaLa; N = V, Cr, Fe). In the doped compounds, the A-site was replaced by 1:1 of Ba and…