Related papers: Ferromagnetic materials in the zinc-blende structu…
Single crystals of CrSbSe$_3$, a structurally pseudo-one-dimensional ferromagnetic semiconductor, were grown using a high-temperature solution growth technique and were characterized by x-ray diffraction, anisotropic, temperature- and…
We study the properties of ThCr$_2$Si$_2$ structure BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$ using density functional calculations of the electronic and magnetic as well experimental measurements on single crystal samples of BaMn$_2$As$_2$. These…
Using \textit{ab-initio} methods we study structural, electronic and magnetic properties of two dimensional compounds with stoichiometry M$_2$N$_3$ (M-metal, N=S,Se,Te). Our study shows that structures with Cr, Ti, and Mn are stable, with…
In this research paper, we investigated the structural, electronic, and magnetic features of titanium atom substituting calciumatom in rock salt structure of CaS to explore the new dilute magnetic semiconductor compounds. The calculations…
Strongly correlated materials feature multiple electronic orbitals which are crucial to accurately understand their many-body properties, from cuprate materials to twisted bilayer graphene. In such multi-band models, quantum interference…
Spintronics is expected as the next-generation technology based on the novel notch of spin degree of freedom of electrons. Half metals, a class of materials which behave as a metal in one spin direction and an insulator in the opposite spin…
Intrinsic, two-dimensional ferromagnetic semiconductors are an important class of materials for overcoming the limitations of dilute magnetic semiconductors for spintronics applications. CrSiTe$_3$ is a particularly interesting member of…
The half metallic and magnetic properties of Zr2RhZ (Z = Al, Ga, In) alloys with an Hg2CuTi-type structure were systematically investigated using the first-principle calculations. Zr2RhZ (Z = Al, Ga, In) alloys are predicted to be…
We demonstrate efficient spin-polarized tunneling between a ferromagnetic metal and a ferromagnetic semiconductor with highly mismatched conductivities. This is indicated by a large tunneling magnetoresistance (up to 30%) at low…
Magnetic and electronic transport properties of Co$_2$MnZ (Z = Al, Ga, Ge, Si, Sn) Heusler alloys were experimentally investigated. Electrical resistivity, in the temperature range from 4.2 to 300 K, as well as field dependences of the Hall…
Using state-of-the-art first-principles calculations we study the properties of the ferromagnetic Heusler compounds NiYSi where Y stands for V, Cr or Mn. NiCrSi and NiMnSi contrary to NiVSi are half-metallic at their equilibrium lattice…
We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba,K)(Zn,Mn)$_2$As$_2$ through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total…
In this paper, we use the first-principles calculations based on the density functional theory to investigate structural, electronic and magnetic properties of Fe$_{2}$YSn with (Y = Mn, Ti and V). The generalized gradient approximation…
Large spin splitting in the conduction band (CB) and valence band (VB) of ferromagnetic semiconductors (FMSs), predicted by the influential mean-field Zener model[1,2] and assumed in many spintronic device proposals[3-8], has never been…
The magnetic, transport, and structural properties of (Ga,Cr)As are reported. Zincblende Ga$_{1-x}$Cr$_{x}$As was grown by low-temperature molecular beam epitaxy (MBE). At low concentrations, x$\sim$0.1, the materials exhibit unusual…
The origin of ferromagnetism in semimagnetic III-V materials is discussed. The indirect exchange interaction caused by virtual electron excitations from magnetic impurity level in the bandgap to the valence band can explain ferromagnetism…
The magnetic and structural properties of MnAs are studied with ab initio methods, and by mapping total energies onto a Heisenberg model. The stability of the different phases is found to depend mainly on the volume and on the amount of…
First-principles calculations were performed, and the results from the study of structural, electronic and elastic properties of zincblende III-arsenide binary compounds (BAs, AlAs, GaAs and InAs) are presented. These properties have been…
The stability of Cr, V, Al carbide MAX phases, materials of interest for a variety of magnetic as well as high temperature applications, has been studied using density-functional-theory first-principles calculations. The enthalpy of mixing…
In the latest experimental advances, Ni-, Co- and Cu-HAB MOFs were synthesized in 2D forms, with high electrical conductivities and capacitances as well. Motivated by these experimental advances, we employed first-principles simulations to…