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- W2561093085 abstract "The electronic and magnetic properties of one-dimensional (1D) $3d$ transition-metal nanowires are investigated in the framework of density functional theory. The relative stability of collinear and noncollinear (NC) ground-state magnetic orders in V, Mn, and Fe monoatomic chains is quantified by computing the frozen-magnon dispersion relation $mathrm{ensuremath{Delta}}E(stackrel{Pvec}{q})$ as a function of the spin-density-wave vector $stackrel{Pvec}{q}$. The dependence on the local environment of the atoms is analyzed by varying systematically the lattice parameter $a$ of the chains. Electron correlation effects are explored by comparing local spin-density and generalized-gradient approximations to the exchange and correlation functional. Results are given for $mathrm{ensuremath{Delta}}E(stackrel{Pvec}{q})$, the local magnetic moments ${stackrel{Pvec}{ensuremath{mu}}}_{i}$ at atom $i$, the magnetization-vector density $stackrel{Pvec}{m}(stackrel{Pvec}{r})$, and the local electronic density of states ${ensuremath{rho}}_{iensuremath{sigma}}(ensuremath{varepsilon})$. The frozen-magnon dispersion relations are analyzed from a local perspective. Effective exchange interactions ${J}_{ij}$ between the local magnetic moments ${stackrel{Pvec}{ensuremath{mu}}}_{i}$ and ${stackrel{Pvec}{ensuremath{mu}}}_{j}$ are derived by fitting the ab initio $mathrm{ensuremath{Delta}}E(stackrel{Pvec}{q})$ to a classical 1D Heisenberg model. The dominant competing interactions ${J}_{ij}$ at the origin of the NC magnetic order are identified. The interplay between the various ${J}_{ij}$ is revealed as a function of $a$ in the framework of the corresponding magnetic phase diagrams." @default.
- W2561093085 created "2017-01-06" @default.
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- W2561093085 date "2016-09-06" @default.
- W2561093085 modified "2023-09-24" @default.
- W2561093085 title "Electronic and magnetic properties of spiral spin-density-wave states in transition-metal chains" @default.
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- W2561093085 doi "https://doi.org/10.1103/physrevb.94.094403" @default.
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