相关论文: Re-examination of half-metallic ferromagnetism for…

In this communication we present a first principle study of Pr$_{1-x}$Sr$_{x}$MnO$_3$ with $x = 0.25$. While the parent compounds of this system are antiferromagnetic insulators with different structural and magnetic ground states, the $x =…

We propose a modified spin-wave theory to study the 1/3 magnetization plateau of the antiferromagnetic Heisenberg model on the kagome lattice. By the self-consistent inclusion of quantum corrections, the 1/3 plateau is stabilized over a…

We present a thorough $^{77}$Se NMR study of a single crystal of the magnetoelectric compound Cu$_2$OSeO$_3$. The temperature dependence of the local electronic moments extracted from the NMR data is fully consistent with a magnetic phase…

The analysis of the spin wave excitations in two-dimensional isotropic Heisenberg ferromagnet is performed with a single skyrmion in the ground state. We employ the ideas of semiclassical quantization method, duly modified for the use of…

A ferromagnetic insulating (FM-I) state in Pr0.75Ca0.25MnO3 has been studied by neutron scattering experiment and theoretical calculation. The insulating behavior is robust against an external magnetic field, and is ascribed to neither the…

In transition metal doped ZnO, the energy position of dopant 3$d$ states relative to host conduction and valence bands is crucial in determining the possibilty of long range ferromagnetism. Density functional theory based estimates of the…

We investigate the magnetization dynamics of $TmFeO_3$ single crystals across the spin-reorientation phase transition using broadband microwave absorption spectroscopy up to 87.5 GHz. Temperature- and magnetic-field-dependent…

We present an extension of the quasiparticle self-consistent $GW$ approximation (QS$GW$) [Phys. Rev. B, 76 165106 (2007)] to include vertex corrections in the screened Coulomb interaction $W$. This is achieved by solving the Bethe-Salpeter…

From the spin polarized density functional total energy calculations, we shown that the ground state of cubic perovskite RbMnF$_3$ is an antiferromagnetic (AFM) insulator due to the super-exchange mechanism, in agreement with the other…

The $GW$ approximation to many-body perturbation theory is a reliable tool for describing charged electronic excitations, and it has been successfully applied to a wide range of extended systems for several decades using a plane-wave basis.…

Magnetic topological semimetals present open questions regarding the interplay of crystal symmetry, magnetism, band topology, and electron correlations. $LnSb_{x}Te_{2-x-\delta}$ (Ln= lanthanide) is a family of square-net-derived…

Quantum spin liquid (QSL) is a novel state of matter with exotic excitations and was theoretically predicted to be realized most possibly in an S=1/2 kagome antiferromagnet. Experimentally searching for the candidate materials is a big…

We theoretically investigate the low-temperature phase of the recently synthesized Lu$_2$Mo$_2$O$_5$N$_2$ material, an extraordinarily rare realization of a $S=1/2$ three-dimensional pyrochlore Heisenberg antiferromagnet in which Mo$^{5+}$…

We present a plane wave implementation of the G0W0 approximation within the projector augmented wave method code GPAW. The computed band gaps of ten bulk semiconductors and insulators deviate on average by 0.2 eV (~ 5 %) from the…

In the development of highly efficient photovoltaic cells, solid perovskite systems have demonstrated unprecedented promise, with the figure of merit exceeding nineteen percent of efficiency. In this paper, we investigate the optical and…

Density functional theory (DFT) calculations are performed to predict the structural, electronic and magnetic properties of electrically neutral or charged few-atomic-layer (AL) oxides whose parent systems are based on polar perovskite…

We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…

The non-stoichiometric double perovskite oxide La2Ni1.19Os0.81O6 was synthesized by solid state reaction and its crystal and magnetic structures were investigated by powder x-ray and neutron diffraction. La2Ni1.19Os0.81O6 crystallizes in…

We reconsider the results cocerning the extreme-quantum $S=1/2$ square-lattice Heisenberg antiferromagnet with frustrating diagonal couplings ($J_1-J_2$ model) drawn from a comparison with exact-diagonalization data. A combined approach…

We present a detailed theoretical study of Pt3Sn2S2 a layered kagome type material inspired by recent investigation of Co3Sn2S2 reported in [Nature Communication 11, 3985 (2020) whose physical properties remain largely unexplored.…