Related papers: Slater-Pauling Behavior of the Half-Ferromagnetic …
Ab initio total energy calculations show that the antiferromagnetic (111) order is not the ground state for the ideal CuMnSb Heusler alloy in contrast to the results of neutron diffraction experiments. It is known, that Heusler alloys…
Spin gapped metals have recently emerged as promising candidates for spintronic and nanoelectronic applications, enabling functionalities such as sub-60mV/dec switching, negative differential resistance, and non-local spin-valve effects in…
Half-metallic Heusler compounds are of significant interest for spintronics. For device fabrication, compounds that can be epitaxially grown on III-V semiconductors are particularly attractive. We present a first-principles investigation of…
Alloying effects by T=Mn,Co,Ni-substitution on FeS$_2$ have been investigated using density-functional calculations. The ferromagnetic alloys Fe$_{1-x}$T$_x$S$_2$ have been investigated for concentrations…
Spintronics is an emerging form of electronics based on the electrons' spin degree of freedom for which materials with robust half-metallic ferromagnet (HMF) character are very attractive. Here we determine the structural stability,…
The Jahn-Teller model with $E\otimes\beta$ electron-phonon coupling and local (Hubbard-like) Coulomb interaction is considered to describe a lattice system with two orbitals per site at half filling. Starting from a state with one electron…
The thermoelectric properties of 54 different group 4 half-Heusler (HH) alloys have been studied from first principles. Electronic transport was studied with density functional theory using hybrid functionals facilitated by the $\mathbf{k}…
Cubic Half-Heusler Cu$_{1-x}$Co$_x$MnSb (0 $\leq$ $x$ $\leq$ 0.1) compounds have been investigated both experimentally and theoretically for their magnetic, transport and electronic properties in search of possible half metallic…
Here, we report the synthesis and physical properties of Co2FeGe (CFG) Heusler alloy (HA) nanoparticles (NPs). The NPs of size 23 nm are prepared using the co-precipitation method. X-ray and selected area electron diffraction patterns have…
Spin gapless semiconductors based Heusler alloys are the special class of materials due to their unique band structure, high spin polarization and high Curie temperature. These materials exhibit a distinct electronic structure: a nonzero…
Employing {\it ab initio} electronic structure calculations we extensively study ternary Heusler compounds having the chemical formula X$_2$X$^\prime$Z, where X = Mn, Fe or Co; Z = Al or Si; and X$^\prime$ changes along the row of 4$d$…
Employing first-principle electronic structure calculations, we study the magnetic and electronic properties of the XY (X= Mg, Ca, Sr and Y= N, P, As, Sb) compounds crystallizing in the zincblende structure. The Ca and Sr alkaline-earth…
In this study, we attempted to model vacancy ordered half Heusler compounds with 18 valence electron count (VHH) derived from 19 VEC compounds such as TiNiSb such that the compositions will be Ti0.75NiSb, Zr0.75NiSb and Hf0.75NiSb with…
Half Heusler (HH) thermoelectric alloys provide a wide platform to choose materials with non-toxic and earth abundant elements. This article presents an ab-initio theoretical evaluation of electrical and thermal transport properties of…
We compute the effects of electronic interactions on gapless spin-3/2 excitations that in a noninteracting system emerge at a bi-quadratic touching of Kramers degenerate valence and conduction bands, known as Luttinger semimetal. This model…
We report experimental and theoretical investigations on the quaternary Heusler alloy CoRuTiGe, synthesized using the arc melting technique. Crystal structure analysis reveals a tetragonal structure at room temperature. Magnetization…
We present theoretical and experimental results exploring a half-Heusler compound TmPdSb with unusual band order and metallic surface states. Typically, the half-Heusler systems exhibit topological features in a semimetallic state, and…
Double half-heusler alloys are the new class of compounds which can be seen as transmuted version of two single half-heusler with higher flexibility of tuning their properties. Here, we report a detailed study of thermoelectric (TE)…
Our Introduction starts with a short general review of the magnetic and structural properties of the Heusler compounds which are under discussion in this book. Then, more specifically, we come to the discussion of our experimental results…
We have investigated the electronic and thermoelectric properties of half-Heusler alloys NiTZ (T = Sc, and Ti; Z = P, As, Sn, and Sb) having 18 valence electron. Calculations are performed by means of density functional theory and Boltzmann…