Related papers: Magnetic exchange interactions in SrMnO$_3$
Motivated by a need to understand spin-momentum transport in CPP (current perpendicular to the plane) structures, a quantum field theoretical treatment of spin-spin interactions in ferromagnets is presented. The sd interaction of the…
The electronic and magnetic properties of recently synthesized new perovskite phase of HgMnO$_3$ are studied. By means of $ab$ $initio$ DFT calculations this material was shown to be altermagnetic. We discuss features of its electronic…
Higher order quantum effects on the magnetic phase diagram induced by four-spin ring exchange on plaquettes are investigated for a two-dimensional quantum antiferromagnet with S=1/2. Spatial anisotropy and frustration are allowed for. Using…
We perform charge density functional theory plus $U$ calculation of LaMnO$_3$. While all the previous calculations were based on spin density functionals, our result and analysis show that the use of spin-unpolarized charge-only density is…
The possibility of ferromagnetic ordering is revisited in the band model. The coherent potential approximation decoupling has been used for the strong on-site Coulomb interaction. The driving forces towards the ferromagnetism are the…
We present a first-principles investigation of magnetic exchange interactions and critical behavior in (111)-oriented (LaMnO$_3$)$_{2n}$|(SrMnO$_3$)$_n$ superlattices for $n=2,4,6$. For all superlattices under investigation, we find robust…
The crystal structure of hexagonal-Sr0.6Ba0.4MnO3 allows various competing superexchange interactions, leading to intriguing magnetic properties. Local structural changes modify overlapping between Mn and oxygen ions with temperature.…
We investigate antiferromagnetic spin chains, which are coupled by a weak antiferromagnetic exchange interaction on a hexagonal lattice. We particulary study the role of the dipole-dipole interaction within the framework of a Heisenberg…
We present a computational method to determine the exchange constants in isotropic spin models. The method uses the Hamiltonian and overlap matrices computed from density functional schemes that are based on nonorthogonal basis sets. We…
An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculated using the local self-interaction correction approach,…
Absence of magnetic ordering in Bi$_3$Mn$_4$O$_{12}$(NO$_3$), (BMNO) which has a magnetic subsystem that consists of honeycomb bi-layers of Mn$^{4+}$ ions with spin S=3/2, has raised the expectation that its ground state is strongly…
Density functional theory (DFT) calculations are used to study the magnetic and ferroelectric properties of Sr$_{1-x}$Ba$_{x}$MnO$_3$, with focus on $x=0.5$, under isotropic volume expansion/compression and biaxial strain. Our results…
Local structural measurements have been performed on hexagonal HoMnO3 in order to ascertain the specific changes in bond distances which accompany magnetic ordering transitions. The transition from paramagnetic to the antiferromagetic…
We present a theoretical investigation of epitaxial strain effects on the magnetic fluctuation properties of Mn$_3$Sn noncollinear antiferromagnets. Employing density functional theory (DFT), we uncover significant strain-induced…
The classical Heisenberg model is applied in a Monte Carlo study to investigate the distance dependence of the indirect nearest neighbor (NN) exchange and next-nearest neighbor (NNN) superexchange interaction in EuO, EuS, EuSe and EuTe. For…
Density functional theory augmented with Hubbard-$U$ corrections (DFT+$U$) is currently one of the widely used methods for first-principles electronic structure modeling of insulating transition metal oxides (TMOs). Since $U$ is relatively…
Neutron spectroscopy was applied to study the magnetic interactions of orbitally degenerate Co$^{2+}$ on a host MgO rocksalt lattice where no long range spin or orbital order exists. The paramagnetic nature of the substituted monoxide…
We present a systematic study of higher-order exchange interactions beyond the pair-wise Heisenberg exchange in transition-metal trilayers based on density functional theory calculations. We show that these terms can play an important role…
Multiferroics have found renewed interest in topological magnetism and for logic-in-memory applications. Among them, SrMnO$_{3}$, possessing strong magnetoelectric coupling is gaining attention for the design of coexisting magnetic and…
We employ a kinetic-exchange tight-binding model to calculate the magnetic interaction and anisotropy energies of a pair of substitutional Mn atoms in GaAs as a function of their separation distance and direction. We find that the most…