Related papers: Stable half-metallic ferromagnetism in nonstoichio…
We have successfully synthesized S = 1/2 kagome antiferromagnets MCu3(OH)6Cl2 (M = Ni and Co) by hydrothermal method with rotating pressure vessel. Structural characterization shows that both compounds have the similar crystal structure as…
We present a first principle study of new class of high-$T_c$ half-heusler ferromagnets NiCrZ (Z = Si, P, Ge, As, Te). The structure and magnetic properties are investigated through the calculation of the electronic structure, equilibrium…
The stability of atomic intercalated carbon $K_{4}$ crystals, XC$_{2}$ (X=H, Li, Be, B, C, N, O, F, Na, Mg, Al, Si, P, S, Cl, K, Ca, Ga, Ge, As, Se, Br, Rb or Sr) is evaluated by geometry optimization and frozen phonon analysis based on…
Based on density functional theory the noncentrosymmetric superconductor Mo_3Al_2C in its well established {\beta}-Mn type ($P4_{1}32$) crystal structure is investigated. In particular, its thermodynamical and dynamical stabilities are…
Historically, finding two-dimensional (2D) magnets is well known to be a difficult task due to instability against thermal spin fluctuations. Metals are also normally considered poor thermoelectric (TE) materials. Combining intrinsic…
Stoichiometric Cr2Se3 single crystals are particular layer-structured antiferromagnets which possess noncolinear spin configuration, weak ferromagnetic moments, moderate magnetoresistance (MR ~ 14.3%), and bad metallic conductivity below…
The study of topological quantum materials for enhanced thermoelectric energy conversion has received significant attention recently. Topological materials (including topological insulators and Dirac/Weyl/nodal-line semi-metals) with unique…
A new set of lattice-models based on the hexagonal $\sqrt{N}\times\sqrt{N}$ super-cells of the well-known honeycomb lattice with single-hole defect (HL-D-1/2N) are proposed to realize the nontrivial isolated flat-bands. Through performing…
The electro-magnetic properties of ultrathin epitaxial ruthenate films have long been the subject of debate. Here we combine experimental with theoretical investigations of (SrTiO3)5-(SrRuO3)n-(SrTiO3)5 (STO5-SROn-STO5) heterostructures…
Co3Sn2S2 has been reported to be a Weyl semimetal with broken time-reversal symmetry with c axis ferromagnetism (FM) below a Curie temperature of 177 K. Despite the large interest in Co3Sn2S2, the magnetic structure is still under debate…
In this work, we report an ab initio investigation based on density functional theory of the structural, energetic and electronic properties of 2D layered chalcogenides compounds based in the combination of the transition-metals (Ti, Zr,…
Magnetic materials can host skyrmions, which are topologically non-trivial spin textures. In chiral magnets with cubic lattice symmetry, all previously-observed skyrmion phases require thermal fluctuations to become thermodynamically stable…
Pursuing two-dimensional (2D) intrinsic ferromagnetism with high Curie temperature and great mechanical flexibility has attracted great interest in flexible spintronics. In the present work, we carried out a density functional theory (DFT)…
We report the synthesis and physical properties studies of quais-1D iron chalcogenide $\rm BaFe_2Se_4$ which shares the $\rm FeSe_4$ tetrahedra building motif commonly seen in the iron chalcogenide superconductors. A high-quality…
First principles FPLAPWcalculations were performed in the framework of Density Functional Theory (DFT), to study the electronic structures and magnetic properties for the new full-Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn). The investigated…
We report synthesis of non superconducting parent compound of iron chalcogenide, i.e., FeTe single crystal by self flux method. The FeTe single crystal is crystallized in tetragonal structure with the P4/nmm space group. The detailed SEM…
Skyrmions are nanometric spin whirls that can be stabilized in magnets lacking inversion symmetry. The properties of isolated skyrmions embedded in a ferromagnetic background have been intensively studied. We show that single skyrmions and…
The magnetic and lattice properties of the $S$=1/2 quantum-spin-chain ferromagnet, CuAs$_2$O$_4$, mineral name trippkeite, were investigated. The crystal structure of CuAs$_2$O$_4$ is characterized by the presence of corrugated CuO$_2$…
Although a cubic phase of Mn$_3$Ga with an antiferromagnetic order has been theoretically predicted, it has not been experimentally verified in a bulk or film form. Here, we report the structural, magnetic, and electrical properties of…
Two-dimensional intrinsic ferromagnetic half-metal (HM) are important for the spintronics. Manipulating the interlayer magnetic coupling of van der Waals magnetic materials is an important method to control magnetoelectric properties, which…