相关论文: Electronic Structure and Origin of Ferromagnetism …

The possibility of half-metallic antiferromagnetism, a special case of ferrimagnetism with a compensated magnetization, in the diluted magnetic semiconductors is highlighted on the basis of the first principles electronic structure…

Complementary angle-resolved photoemission and bulk-sensitive k-resolved resonant inelastic x-ray scattering of divalent hexaborides reveal a >1 eV X-point gap between the valence and conduction bands, in contradiction to the band overlap…

The layered iron superconductors are discussed using electronic structure calculations. The four families of compounds discovered so far, including Fe(Se,Te) have closely related electronic structures. The Fermi surface consists of…

We investigate the influence of impurities and vacancies in the formation of magnetic moment in CaB6 using full potential ab initio band structure calculations. CaB6 is found to be a band insulator with a band gap of about 0.2 eV. The…

(Ga,Fe)Sb is a promising ferromagnetic semiconductor for practical spintronic device applications because its Curie temperature ($T_{\rm C}$) is above room temperature. However, the origin of ferromagnetism with high $T_{\rm C}$ remains to…

Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…

We investigate the electronic structure and magnetism of half-Heusler compounds XYZ (X, Y=V, Cr, Mn, Fe, Co and Ni; Z=Al, Ga, In, Si, Ge, Sn, P, As, and Sb) using the ab initio density functional theory calculations. Nine half-metals with…

We study the electronic structure and the magnetic correlations of cyanocobalamin ($C_{63}H_{88}CoN_{14}O_{14}P$) by using the framework of the multi-orbital single-impurity Haldane-Anderson model of a transition metal impurity in a…

This paper deals with a significant family of compounds predicted by simplistic electronic structure theory to be metals but are, in fact, insulators. This false metallic state has been traditionally attributed in the literature to reflect…

Motivated by the observation of nonmetallic nature in double perovskite Ca2CrReO6 and Ca2FeReO6 with high magnetic Curie temperatures of 360 and 522 K, we systematically investigate the structural, electronic, and magnetic properties of…

FeSe is a fascinating superconducting material at the frontier of research in condensed matter physics. Here we provide an overview on the current understanding of the electronic structure of FeSe, focusing in particular on its low energy…

Ferromagnetism has been reported recently in La-doped alkaline-earth hexaborides, A1-xLaxB6 (A=Ca, Sr, and Ba). We have performed the reflectivity, Hall resistivity, and magnetization measurements of A1-xLaxB6. The results indicate that…

Recent experiments have uncovered evidence of low energy excitations in the bulk of SmB$_6$ that are perhaps associated with unconventional quasiparticles, bringing into question whether this Kondo "insulator" is truly insulating in the…

Half-metallic ferromagnetism (HMFM) occurs rarely in materials and yet offers great potential for spintronic devices. Recent experiments suggest a class of compounds with the `ThCr$_{2}$Si$_{2}$' (122) structure -- isostructural and…

In the last decade rare-earth hexaborides have been investigated for their fundamental importance in condensed matter physics, and for their applications in advanced technological fields. Among these compounds, LaB$_6$ has a special place,…

Possibility of a ferromagnetic semiconductor single wall carbon nanotube (SWCNT), where ferromagnetism is due to coupling between doped magnetic impurity on a zigzag SWCNT and electrons spin, is investigate. We found, in the weak…

Recently discovered A-Fe-Se (A - alkali metal) materials have questioned the most popular theories of iron-based superconductors because of their unusual electronic structure [1]. Controversial photoemission data taken in the…

The quest to understand the nature of the electronic state in SmB6 has been challenging, perplexing and surprising researchers for over half a century. In the theoretically predicted topological Kondo insulator SmB6, the nature of the bulk…

We study the electronic structure of the ferromagnetic spinel $\mathrm{Hg}\mathrm{Cr}_2\mathrm{Se}_4$ by soft-x-ray angle-resolved photoemission spectroscopy (SX-ARPES) and first-principles calculations. While a theoretical study has…

We report electronic band structure calculations for Sr$_{4}$Ru$_{3}$O$_{10}$ that displays both ferromagnetic and metamagnetic behavior. The density functional calculations find the ground state to be ferromagnetic in agreement with the…