相关论文: Half-metallic ferromagnetism and Ru-induced locali…

We have studied in details the electronic structure and magnetism in M (Mn and Cr) doped semiconducting half-Heusler compounds FeVSb, CoTiSb and NiTiSn (XM$_{x}$Y$_{1-x}$Z) in a wide concentration range using local-spin density functional…

First-principles density functional theory (DFT) is used to investigate the electronic and magnetic properties of Sr$_4$Rh$_3$O$_{10}$, a member of the Ruddlesden-Popper series. Based on the DFT calculations taking into account the…

Using a full-potential \textit{ab-initio} technique I study the electronic and magnetic properties of the (001) surfaces of the half-Heusler alloys, NiMnSb, CoMnSb and PtMnSb and of the full-Heusler alloys Co$_2$MnGe, Co$_2$MnSi and…

Correlation effects play an important role in the electronic structure of half-metallic (HM) magnets. In particular, they give rise to non-quasiparticle states above (or below) the Fermi energy at finite temperatures that reduce the spin…

A concept is presented serving to guide in the search for new materials with high spin polarization. It is shown that the magnetic moment of half-metallic ferromagnets can be calculated from the generalized Slater-Pauling rule. Further, it…

Six half-metallic ferromagnets X0.75Y0.25C (X=Si, Ge, Sn and Y =Ca and Sr) with zinc-blende structure, resulting from alkaline-earth (Ca, Sr) substitution for X, are predicted based on the density functional theory. The calculated total…

We report a systematic investigation on the magnetization relaxation properties of iron-based half-metallic Heusler alloy Fe$_{2}$Cr$_{1-x}$Co_${x}$Si (FCCS) thin films using broadband angular-resolved ferromagnetic resonance. Band…

Two-dimensional (2D) high-temperature ferromagnetic materials are important for spintronic application. Fortunately, a highly-air-stable PdSe$_2$ monolayer semiconductor has been made through exfoliation from the layered bulk material. It…

We report the magnetic, magnetocaloric, and magnetotransport properties of the semi-Heusler alloy Cu0.85Ni0.15MnSb, which exhibits coexistence of antiferromagnetic (AFM) and ferromagnetic (FM) phases. A broad magnetic phase transition is…

The thermoelectric (TE) properties of quaternary Heusler alloys (CoX'ZrAl; X'= V, Fe, Ir) are studied in the framework of Density Functional Theory and Boltzmann Transport Theory. The compound CoVZrAl is found to be semiconducting and the…

The half-metallic properties of a new and promising full-Heusler compound, Zr2CoSn, are investigated by means of ab initio calculations within the Density Functional Theory framework. The ferromagnetic ordered Hg2CuTi-type crystal structure…

Ferromagnetic solids acquire nontrivial magnetic and caloric properties when the temperature of the structural phase transition approaches the Curie point. Deciphering magneto-structural transitions, i.e. determining their characteristic…

We propose a strategy to obtain conducting organic materials with fully spin-polarized Fermi surface, lying at a singular flat band, with antiferromagnetically coupled magnetic moments that reside in pi-orbitals of nanographenes. We…

Heusler alloys containing Co and Mn are amongst the most heavily studied half-metallic ferromagnets for future applications in spintronics. Using state-of-the-art electronic structure calculations, we investigate the effect of doping and…

We consider, theoretically and experimentally, the effects of structural disorder, quantum and thermal fluctuations in the magnetic and transport properties of certain ferromagnetic alloys.We study the particular case of UCu2Si(2-x)Ge(x).…

Half-metallic antiferromagnets are the ideal materials for spintronic applications since their zero magnetization leads to lower stray fields and thus tiny energy losses. Starting from the Mn$_2$VAl and Mn$_2$VSi alloys we substitute Co or…

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…

Based on the first-principles electronic structure calculations, we predict that a chromium oxide K$_2$Cr$_8$O$_{16}$ of hollandite type should be a half-metallic ferromagnet where the Fermi level crosses only the majority-spin band,…

Altermagnetism has recently emerged as a distinct and fundamental class of magnetic order. Exploring its interplay with quantum phenomena such as unconventional superconductivity, density-wave instabilities, and many-body effects represents…

Li-based half-Heusler alloys have attracted much attention due to their potential applications in optoelectronics and because they carry the possibility of exhibiting large magnetic moments for spintronic applications. Due to their…