Optimization of Embedded Atom Method Interatomic Potentials to Simulate Defect Structures and Magnetism in [alpha]-Fe
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We present an experimental study of the two-dimensional S=1/2 square-lattice antiferromagnet Cu(pz)(2)(ClO4)(2) (pz denotes pyrazine-C4H4N2) using specific-heat measurements, neutron diffraction, and cold-neutron spectroscopy. The magnetic field dependence ...
VOCI develops magnetic order below T-N=80.3(3) K. Employing single-crystal x-ray diffraction and powder neutron diffraction it is shown that the magnetic phase transition is accompanied by a small, temperature-dependent monoclinic lattice distortion with g ...
Phase diagram of the two-dimensional antiferromagnet Ni-5(TeO3)(4)Br-2 with triangular arrangement of Ni2+ (S=1) magnetic moments within the [Ni5O17Br2] subunits has been investigated by temperature and magnetic field dependent heat-capacity, magnetization ...
The gamma surfaces in the pyramidal I {1 -1 0 1} and II {1 1 -2 2} planes for hexagonal close packed Mg have been calculated using two embedded-atom-method potentials and by ab initio methods, and reasonable agreement is obtained for key stacking fault ene ...
Transition-metal-doped ZnO is considered a promising candidate for applications in spintronics. Here, we developed it novel and versatile synthetic route for obtaining impurity-free Mn-doped zinc oxide (Zn1-xMnxO) materials witha well-controlled content of ...
Pronounced anisotropy of magnetic properties and complex magnetic order of a new oxi-halide compound Co-7(TeO3)(4)Br-6 has been investigated by powder and single-crystal neutron-diffraction, magnetization, and ac susceptibility techniques. Anisotropy of su ...
Resonant magnetic x-ray scattering near the vanadium L-2,L-3-absorption edges has been used to investigate the low temperature magnetic structure of high quality BaVS3 single crystals. Below T-N = 31 K, the strong resonance revealed a triple-incommensurate ...
Degradation of mechanical properties due to nanometric irradiation induced defects is one of the challenging issues in designing ferritic materials for future nuclear fusion reactors. Various types of defects, namely dislocation loops, voids, He bubbles an ...
The properties of the cluster HenV, an iron vacancy with an increasing number of He atoms, is studied with molecular statics and molecular dynamics simulations. A study of the binding energy of the self-interstitial atom (SIA) and the He, shows that from n ...
X-ray magnetic circular dichroism provides evidence of an out-of-plane spin moment in undoped and doped cuprates. In La2CuO4 this moment is related to the canting of the antiferromagnetically ordered Cu2+ spins caused by the Dzyaloshinskii-Moriya interacti ...