相关论文: Electronic Structure and Origin of Ferromagnetism …
We introduce a path to a possibly new class of magnetic materials whose properties are determined entirely by the presence of a low concentration of specific point defects in their crystal structure. Using model Hamiltonian and ab-initio…
We propose FeSb2 to be a nearly ferromagnetic small gap semiconductor, hence a direct analog of FeSi. We find that despite different compositions and crystal structures, in the local density approximation with on-site Coulomb repulsion…
We report the synthesis and characterization of a Si-based ternary semiconductor Mg$_3$Si$_2$Te$_6$, which exhibits a quasi-two-dimensional structure, where the trigonal Mg$_2$Si$_2$Te$_6$ layers are separated by Mg ions.…
We performed a combined angle-resolved photoemission spectroscopy and scanning tunneling microscopy study of the electronic structure of electron-doped Ca$_{0.83}$La$_{0.17}$Fe$_2$As$_2$. A surface reconstruction associated with the…
The rise of topology in condensed matter physics has generated strong interest in identifying novel quantum materials in which topological protection is driven by electronic correlations. Samarium hexaboride is a Kondo insulator for which…
To resolve the controversial issue of the topological nature of the electronic structure of YbB$_{6}$, we have made a combined study using density functional theory (DFT) and angle resolved photoemission spectroscopy (ARPES). Accurate…
The chemical flexibility of the $RM_6X_6$ stoichiometry, where an $f$-block element is intercalated in the CoSn structure type, allows for the tuning of flatbands associated with kagome lattices to the Fermi level and for emergent phenomena…
The electronic structure and magnetic properties of CaCr$\mathrm{O}_3$ have been calculated by two methods, including hybrid-exchange density-function theory and density-functional theory + $U$. The computed densities of states from both of…
Fe-based superconductors have drawn much attention during the last decade due to the finding of superconductivity in materials containing the magnetic element, Fe, and the coexistence of superconductivity & magnetism. Extensive study of the…
We employ Faraday and Kerr effect spectroscopy in the infrared range to investigate the electronic structure of Ga1-xMnxAs near the Fermi energy. The band structure of this archetypical dilute-moment ferromagnetic semiconductor has been a…
Full potential spin-polarized self-consistent electronic structure calculation s have been performed on LaB$_{6}$, EuB$_{6}$ and YbB$_{6}$ using Linear Muffin- Tin Orbital Method. The electronic structure of EuB$_{6}$ shows a small overlap…
To understand the halfmetallic ferromagnet EuB6 we use the Kondo lattice model for valence and conduction band. By means of a recently developed many-body theory we calculate the electronic properties in the ferromagnetic regime up to the…
Strong electron correlations in rare earth hexaborides can give rise to a variety of interesting phenomena like ferromagnetism, Kondo hybridization, mixed valence, superconductivity and possibly topological characteristics. The theoretical…
We report first-principles calculations on the normal and superconducting state of CaBe(x)Si(2-x) (x=1), in the framework of density functional theory for superconductors (SCDFT). CaBeSi is isostructural and isoelectronic to MgB2 and this…
The energy gap is a fundamental property of materials, directly related to their optical and electronic properties. The energy gap of ferroelectric compounds and its adjustment by compositional variation has particularly attracted attention…
In 2015, a new two dimensional (2D) carbon allotrope, called phagraphene, was theoretically proposed. Based on this structure, we propose here a new boron nitride structure called phaBN. It is composed by three types of rings: pentagons,…
The current status and prospects of research on ferromagnetism in semiconductors are reviewed. The question of the origin of ferromagnetism in europium chalcogenides, chromium spinels and, particularly, in diluted magnetic semiconductors is…
Angle resolved photoemission spectroscopy (ARPES) reveals the features of the electronic structure of quasi-two-dimensional crystals, which are crucial for the formation of spin and charge ordering and determine the mechanisms of…
Magnetic semiconductors have attracted interest because of the question of how a magnetic metal can be derived from a paramagnetic insulator. Here our approach is to carrier dope insulating FeSi and we show that the magnetic half-metal…
We investigate a model of excitonic ordering (i.e electron-hole pair condensation) appropriate for the divalent hexaborides. We show that the inclusion of imperfectly nested electron hole Fermi surfaces can lead to the formation of an…