相关论文: Interstitial Mn in (Ga,Mn)As: Binding energy and e…
For the traditional low T_c superconductors, the superconducting condensation energy is proportional to the change in energy of the ionic lattice between the normal and superconducting state, providing a clear link between pairing and the…
Magnetic properties of a tetrahedral "Ni_4" molecule are discussed in terms of the Heisenberg model, with magnetic anisotropy terms included, and on the basis of first-principle calculations within the density functional theory. It is shown…
The mechanism for the ferromagnetic order of (Ga,Mn)As and (Ga,Mn)N is extensively studied over a vast range of Mn concentrations. We calculate the electronic structures of these materials using density functional theory in both the local…
Magnetism in topological materials creates phases exhibiting quantized transport phenomena with applications in spintronics and quantum information. The emergence of such phases relies on strong interaction between localized spins and…
The local density of states of Mn-Mn pairs in GaAs is mapped with cross-sectional scanning tunneling microscopy and compared with theoretical calculations based on envelope-function and tight-binding models. These measurements and…
We study the magnetic properties of metallic GaMnAs. We calculate the effective RKKY interaction between Mn spins using several realistic models for the valence band structure of GaAs. We also study the effect of positional disorder of the…
An energy functional for orbital based $O(N)$ calculations is proposed, which depends on a number of non orthogonal, localized orbitals larger than the number of occupied states in the system, and on a parameter, the electronic chemical…
Isospin singlet (pn) pairing as well as quartetting in nuclei is expected to arise near the symmetry line $N=Z$. Empirical values can be deduced from the nuclear binding energies applying special filters. Within the local density…
Magnetic and transport properties of Ti substituted La$_{0.67}$Sr$_{0.33}$MnO$_3$ are drastically affected with a change in preparation conditions. Low temperature infra-red absorption measurements reveal that this is perhaps due to…
In order to overcome the disadvantages of MgH2 towards its applications in on-board hydrogen storage, first principle calculations have been performed for Ti (2+, 3+, and 4+) substituted MgH2. Our calculated enthalpy of formation and H site…
The total energy of the transverse spin-spiral wave as a function of the wave vector for all 3$d$ transition metal atomic chains has been calculated within {\it ab initio} density functional theory with generalized gradient approximation.…
We assume a triple geometric structure for the electromagnetic nuclear interaction. This nuclear electromagnetism is used to calculate the binding energies of the deuteron and the neutron. The corresponding Pauli quantum wave equation in a…
Electronic and magnetic properties of Ga$_{1-x}$Mn$_{x}$As, obtained from first-principles calculations employing the hybrid HSE06 functional, are presented for $x=6.25\%$ and $12.5\%$ under pressures ranging from 0 to 15 GPa. In agreement…
The percentage of substitutional doping of magnetic atoms (Mn) in group-IV-based dilute magnetic semiconductors (DMS) can be increased by co-doping with another conventional electronic dopant (e-dopant) [Zhu et al., Phys. Rev. Lett. 100,…
High intensity inelastic neutron scattering experiments on the S=1 quasi-one-dimensional bond-alternating antiferromagnet Ni(C9D24N4)(NO2)ClO4 (NTENP) are performed in magnetic fields of up to 14.8~T. Excitation in the high field magnetized…
In this work we calculate neutron and proton energy gaps in neutron star matter, using the Bonn meson--exchange interactions and a model--space approach to the gap equation. This approach allows a consistent calculation of energy gaps and…
By using first-principles electronic structure calculations, we have studied the magnetic interactions in a proposed BaZn$_2$P$_2$-based diluted magnetic semiconductor (DMS). For a typical compound Ba(Zn$_{0.944}$Mn$_{0.056}$)$_2$P$_2$ with…
In the present work, the aspects of magnetic and structural properties of Ni-Mn-Ga alloys are described in the framework of fist-principles approach and mapped into ternary composition diagrams. The stable atomic arrangement and magnetic…
The low-spin structure of 93Nb has been studied using the (n,n' gamma) reaction at neutron energies ranging from 1.5 to 3.0 MeV and the 94Zr(p,2n gamma)93Nb reaction at bombarding energies from 11.5 to 19 MeV. States at 1779.7 and 1840.6…
Starting with empirical tight-binding band structures, the branch-point (BP) energies and resulting valence band offsets (VBOs) for the zincblende phase of InN, GaN and AlN are calculated from their k-averaged midgap energy. Furthermore,…