相关论文: Spin state of negative charge-transfer material Sr…

We discuss the possibility of coexistence of spin-singlet superconductivity and ferromagnetism in a model where the same electrons are assumed responsible for both of them. Our calculations include both zero and finite momentum pairing…

The relativistic spin-momentum locking has been proven in time-reversal-breaking classes of materials with zero net magnetization in the non-relativistic limit, such as altermagnets and other non-collinear magnets. Using density functional…

Study of the combined effects of strong electronic correlations with spin-orbit coupling (SOC) represents a central issue in quantum materials research. Predicting emergent properties represents a huge theoretical problem since the presence…

We have investigated the effect of pressure on the electronic, magnetic, and structural properties on a single crystal of conducting, ferromagnet (T$_{C}$=157K) La$_{0.82}$Sr$_{0.18}$CoO$_{3}$ located near the boundary of the…

We apply the density-functional theory to study various phases (including non-magnetic (NM), anti-ferromagnetic (AFM), and ferromagnetic (FM)) in monolayer magnetic chromium triiodide (CrI$_3$), a recently fabricated 2D magnetic material.…

The aim of the paper is to contribute to reaching a deeper understanding of the formation of relativistic effects in altermagnets. The focus of the paper is on the phenomena of weak ferromagnetism (WFM) and relativistic DFT calculations…

The spin reorientation (SR) phenomenon of the square-lattice antiferromagnets RMnAsO (R = Ce, Nd) was investigated by analyzing the spin exchange interactions between the rare-earth and transition-metal ions (R3+ and Mn2+, respectively) on…

We investigate instabilities of the magnetic ground state in ferromagnetic metals that are induced by uniform electrical currents, and, in particular, go beyond previous analyses by including dipolar interactions. These instabilities arise…

A systematic first-principles study has been performed to understand the magnetism of thin film SrRuO$_3$ which lots of research efforts have been devoted to but no clear consensus has been reached about its ground state properties. The…

We present the first application of a recently proposed electronic-structure scheme to transition metal oxides: screened exchange dynamical mean-field theory includes non-local exchange beyond the local density approximation and dynamical…

Hole and electron doped LaCoO3 is studied using dynamical mean-field theory. The one-particle spectra are analyzed and compared to the available experimental data, in particular the x-ray absorption spectra. Analyzing the temporal spin-spin…

The presence of spin-orbit (SO) interaction in a noncentrosymmetric superconductor, La2C3 (T_c~11 K) is demonstrated by muon spin rotation (muSR) in its normal state, where muSR spectra exhibit field-induced weak depolarization due to van…

Controlling magnetism and spin structures in strongly correlated systems by using electric field is of fundamental importance but challenging. Here, a high-spin ruthenate phase is achieved via a solid ionic chemical junction at…

It has been well established that both in bulk at ambient pressure and for films under modest strains, cubic SrCoO$_{3-\delta}$ ($\delta < 0.2$) is a ferromagnetic metal. Recent theoretical work, however, indicates that a magnetic phase…

The discovery of unconventional antiferromagnets, such as altermagnets, has drawn significant attention to higher-rank magnetic multipoles, particularly magnetic octupoles. Despite the advances in research, attempts to understand their…

The structure and ground state electronic structure of the recently synthesized SrPdO$_3$ perovskite [A. Galal {\em et al.}, J. Power Sources, {\bf 195}, 3806 (2010)] have been studied by means of screened hybrid functional and the GW…

SrIrO$_3$ crystallizes in a monoclinic structure of distorted hexagonal perovskite at ambient pressure. The transport measurements show that the monoclinic SrIrO$_3$ is a low-carrier density semimetal, as in the orthorhombic perovskite…

Electric-field controlled exchange bias in a heterostructure composed of the ferromagnetic manganite La0.7Sr0.3MO3 and the ferroelectric antiferromagnetic BiFeO3 has recently been demonstrated experimentally. By means of a microscopic model…

Entanglement of spin and orbital degrees of freedom, via relativistic spin-orbit coupling, in 4$d$ transition metal oxides can give rise to a variety of novel quantum phases. A previous study of mixed 3$d$-4$d$ quasi-1D spin-chain oxide…

We study the nature of spin excitations of individual transition metal atoms (Ti, V, Cr, Mn, Fe, Co and Ni) deposited on a Cu$_2$N/Cu(100) surface using both spin-polarized density functional theory (DFT) and exact diagonalization of an…