Related papers: Magnetism in Rb$_{x}$Sr$_{1-x}$C novel alloy
Employing first-principles calculations we study the structural, electronic and magnetic properties of the [Sc$_{1-x}$V$_x$]C and [Sc$_{1-x}$V$_x$]Si alloys. In their equilibrium rocksalt structure all alloys are non-magnetic. The…
We review the appearance of Slater-Pauling rules in half-metallic magnets. These rules have been derived using ab-initio electronic structure calculations and directly connect the electronic properties (existence of minority-spin energy…
We investigate the electronic structures and magnetic properties of RbSe and CsTe compounds in CsCl, RS and ZB structures by using first-principles calculation. It is shown that these two compounds exhibit half-metallic ferromagnetism with…
Existence of ferromagnetism in bulk calcium compounds is discovered theoretically. First-principles calculations of calcium phosphide, calcium arsenide and calcium antimonide in the zinc-blende structure have been performed to show the…
Nonstoichiometric Sr$_{1-y}$Mn$_{1-z}$Sb$_{2}$ (y, z~$<$0.1) is known to exhibit a coexistence of magnetic order and the nontrivial semimetallic behavior related to Dirac or Weyl fermions. Here, we report inelastic neutron scattering…
Motivated by the recent wealth of exotic magnetic phases emerging in two-dimensional frustrated lattices, we investigate the origin of possible magnetism in the monolayer family of triangular lattice materials $MX_2$ ($M$={V, Mn, Ni},…
Employing first principles density functional calculations, together with solution of the low-energy, model Hamiltonian constructed in a first principles manner, we explored the origin of magnetism and $T_c$ trend in Cr-based double…
The structural, electronic, and magnetic properties of half-Heusler alloys CKMg and SiKMg are studied by using first-principle density functional theory. The calculations reveal the SiKMg alloy is a half-metallic ferromagnet with the…
Electronic structures of MC where M is the alkali and alkaline earth metals with the rocksalt structure are calculated by full potential density functional codes. We find that the spin magnetic moment in the compounds is mainly contributed…
In this paper, the structural, electronic and magnetic properties of Zinc-blende Ga1-xVxSb compounds, with x from dilute doping situation to extreme doping limiting, were systematically investigated by first-principles calculations. V atoms…
Ordered double perovskite oxides of the general formula, A2BB'O6, have been known for several decades to have interesting electronic and magnetic properties. However, a recent report of a spectacular negative magnetoresistance effect in a…
In this communication we present a first principle study of Pr$_{1-x}$Sr$_{x}$MnO$_3$ with $x = 0.25$. While the parent compounds of this system are antiferromagnetic insulators with different structural and magnetic ground states, the $x =…
Magnetic effects originating from spin-orbit coupling (SOC) have been attracting major attention. However, SOC contributions to the electron magnetic moment operator are conventionally disregarded. In this work, we analyze relativistic…
Altermagnets are a class of materials with compensated magnetic moments, in which spin sublattices are related by specific symmetries other than inversion or translation. This allows time-reversal symmetry to be broken without a net…
We investigate the magnetocaloric effect (MCE), relative cooling power (RCP) and crystalline structure in Sb substituted CrTe_{1-x}Sb_{x} (0 \leq x \leq 0.2) alloy. The Rietveld refinement of the XRD pattern of CrTe1-xSbx showed the…
Low-temperature measurements of the magnetocrystalline anisotropy energy $K$ in (Fe$_{1-x}$Co$_{x}$)$_{2}$B alloys are reported, and the origin of this anisotropy is elucidated using a first-principles electronic structure analysis. The…
Ru$_{2-x}$Fe$_x$CrSi ( 0 $<$ x $<$1) system is theoretically predicted to be one of the very few known examples of robust half-metallic ferromagnet with 100\% spin polarization. Since Cr is considered to be the main contributor to…
Three amorphous Co$_x$Nb$_{100-x}$ alloys, Co$_{25}$Nb$_{75}$, Co$_{57}$Nb$_{43}$ and Co$_{80}$Nb$_{20}$, were produced by Mechanical Alloying starting from the elemental powders. Their magnetic properties were determined using an…
The bcc-based Fe_{1-x}Al_{x} exhibit interesting magnetic and anomalous structural properties as a function of composition and sample processing conditions arising from thermal or off-stoichiometric chemical disorder, and, although well…
The occurence of spin-polarization at ZrO$_{2}$, Al$_{2}$O$_{3}$ and MgO surfaces is proved by means of \textit{ab-initio} calculations within the density functional theory. Large spin moments, as high as 1.56 $\mu_B$, develop at O-ended…