Multiscale quantum/atomistic coupling using constrained density functional theory
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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 ...
Coordination assemblies formed by metal(II) dithiocarbamates M-II(R(2)dtc)2 (M = Zn, Cd, Hg, Mn, and Fe; R = Me, Et, iPr, nPr, and nBu) and nitrogen-containing ligands (L = DABCO, DMP, and HMTA) are shown to be sterically well consistent with the spherical ...
The magnetic properties of disordered graphene and irradiated graphite are systematically studied using a combination of mean-field Hubbard model and first-principles calculations. By considering large-scale disordered models of graphene, I conclude that o ...
We present magnetodielectric measurements in single crystals of the cubic spin-1/2 compound Cu2OSeO3. A magnetic-field-induced electric polarization (P) and a finite magnetocapacitance (MC) is observed at the onset of the magnetically ordered state (T-c = ...
Synchrotron radiation techniques represent powerful tools to characterize materials down to the nanometer level. This paper presents a survey of the state-of-the-art synchrotron-based techniques which are particularly well-suited for investigating material ...
Gd3N@C-80 endohedral fullerene, a starting material for a potential magnetic resonance imaging contrast agent, is investigated by high-frequency electron spin resonance (ESR) and SQUID magnetometry. The magnetic moments of the three Gd ions of the endohedr ...
In this thesis, the magnetic properties of self-assembled 3d and 4d metal nano-structures supported on surfaces have been investigated. The atomic coordination within the nano-structures was found to profoundly affect important quantities such as the magne ...
Magnetic zigzag edges of graphene are considered as a basis for novel spintronics devices despite the fact that no true long-range magnetic order is possible in one dimension. We study the transverse and longitudinal fluctuations of magnetic moments at zig ...
Nanomagnets of controlled size, organized into regular patterns open new perspectives in the fields of nanoelectronics, spintronics, and quantum computation. Self-assembling processes on various types of substrates allow designing fine-structured architect ...
“Because that is the way it is” I finally answered to our son’s favorite word “Why?”. He had discovered – like most kids his age – that his wooden train with magnetic buffers would pull one end of the wagon, but repel the other end. His first “why” was eas ...