Effect of large mechanical stress on the magnetic properties of embedded Fe nanoparticles

• Srinivasa Saranu,
• Sören Selve,
• Ute Kaiser,
• Luyang Han,
• Ulf Wiedwald,
• Paul Ziemann and
• Ulrich Herr

Beilstein J. Nanotechnol. 2011, 2, 268–275, doi:10.3762/bjnano.2.31

• similar behaviour before and after loading, whereas the FC curves differ for both samples. As a result, the temperature above which the FC and the ZFC curves fall together (called convergence temperature Tcon here) shifts from about Tcon= 170 K in the as-prepared state to about Tcon = 220 K after H

Structural and magnetic properties of ternary Fe_1–xMn_xPt nanoalloys from first principles

• Markus E. Gruner and
• Peter Entel

Beilstein J. Nanotechnol. 2011, 2, 162–172, doi:10.3762/bjnano.2.20

• . The structural relaxations were stopped when the energy difference between two consecutive relaxations was less than 0.1 meV, leading to a convergence of forces down to the order of 10 meV/Å. The symmetrization of wavefunctions and forces was consistently switched off in all calculations. The

On the reticular construction concept of covalent organic frameworks

• Binit Lukose,
• Agnieszka Kuc,
• Johannes Frenzel and
• Thomas Heine

Beilstein J. Nanotechnol. 2010, 1, 60–70, doi:10.3762/bjnano.1.8

• the DFTB+ code on elementary unit cells in order to validate the calculations within the Γ-point approximation. The number of k-points has been determined by reaching convergence for the total energy as a function of k-points according to the scheme proposed by Monkhorst and Pack [27]. Band structures