相关论文: Interstitial Mn in (Ga,Mn)As: Binding energy and e…

The electronic structures of Mn-doped zincblende GaAs and wurtzite GaN are calculated using both standard local-density functional theory (LSDA), and a novel pseudopotential self-interaction-corrected approach (pseudo-SIC), able to account…

We present first-principles electronic structure calculations of Mn doped III-V semiconductors based on the local spin-density approximation (LSDA) as well as the self-interaction corrected local spin density method (SIC-LSD). We find that…

Antiphase boundaries (APBs) are ubiquitous in ordered Heusler alloys and strongly influence magnetic coercivity in Ni-Mn-Ga, yet the link between their atomic-scale exchange interactions and micrometer-scale magnetic contrast measured by…

The lowest excitation energies of the given multipole J^pi state (the J^pi yrast energies) are given for even-even nuclei throughout the entire periodic table. The yrast energies were calculated using the recently proposed empirical formula…

We derive an exact general axi-symmetric solution of the coupled gravitational and electromagnetic fields in the tetrad theory of gravitation. The solution is characterized by four parameters $M$ (mass), $Q$ (charge), $a$ (rotation) and $L$…

We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…

The chiral magneto-electric compound Ni3TeO6 is investigated through temperature-dependent synchrotron-based powder x-ray diffraction and x-ray absorption spectroscopy between 15 to 300 K. Our work provides direct evidence for the…

We investigate electron correlation effects in stoichiometric Titanium Nitride (TiN) using a combination of electronic structure and many-body calculations. In a first step, the Nth-order muffin tin orbital technique is used to obtain…

$^{3}P_{2}$ pairing in neutron matter is investigated using the Bonn potential models. We find pairing energy gaps in pure neutron matter comparable to the results of previous investigators when the attractive tensor coupling is included.…

The thermoelectric power (TEP) measurements have been carried out to investigate the changes in the electronic structure associated with the intermartensitic and martensitic transitions in Ni$_{2+x}$Mn$_{1-x}$Ga (0 $\le$ x $\le$ 0.19). The…

The contributions of the covalent bond energies of various atom pairs to the cohesive energy of MgB2 and AlB2 are analysed with a variant of our recently developed energy-partitioning scheme for the density-functional total energy. The…

We use frequency-dependent capacitance-voltage spectroscopy to measure the tunneling probability into self-assembled InAs quantum dots. Using an in-plane magnetic field of variable strength and orientation, we are able to obtain information…

Metallic Mn-based alloys with a nearest-neighbor Mn-Mn distance greater than 0.4 nm exhibit large, well-localized magnetic moments. Here we investigate the magnetism of tetragonal Au4Mn with a Curie temperature of 385 K, where manganese has…

Calculations of stable and metastable magnetic states as well as minimum energy paths for transitions between states are carried out using a noncollinear extension of the multiple-impurity Alexander-Anderson model and a magnetic force…

It is shown that in N \simeq Z nuclei the effects of isovector pairing and the symmetry energy are intimately related. In particular, in the odd-odd N = Z nuclei these two effect are essentially equal in magnitude, causing near degeneracy…

The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local spin density approximation, by which several configurations…

We systematically investigate, using ab initio density-functional theory calculations, the properties of interstitial and substitutional Mn in both Si and Ge, as well as in the Si(1-x)Gex alloy. We show that volume effects are not the main…

Developing a low-energy model is essential for understanding unconventional superconductivity in bilayer nickelate La$_3$Ni$_2$O$_7$. Here, we analyze distinct low-energy scenarios of the normal state by downfolding the ab-initio determined…

We study the exchange constants of MnV$_2$O$_4$ using magnetic force theorem and local spin density approximation of density functional theory supplemented with a correction due to on-site Hubbard interaction U. We obtain the exchanges for…

Magnetic compensated state attracted much interests due to the observed large exchange bias and large coercivity, and its potential applications in the antiferromagnetic spintronics with merit of no stray field. In this work, by ab initio…