相关论文: Half-Heusler thermoelectric materials: NMR studies

Materials with reduced dimensionality offer beneficial density-of-states (DOS) profiles for thermoelectric energy conversion, but can be impractical in realistic devices. Encouragingly, bulk high-symmetry materials can also exhibit similar…

Electronic structure of ferromagnetic half-metal CrO$_2$ was studied by means of 53Cr nuclear magnetic resonance (NMR) spectroscopy and density functional theory (DFT). The measured NMR spectrum consists of three distinct spectral lines and…

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…

Heusler compounds have emerged as important thermoelectric materials due to their combination of promising electronic transport properties, mechanical robustness and chemical stability -- key aspects for practical device integration. While…

Using \textit{ab initio} calculation, we investigate systematically the structural and electronic properties of Ni$_{2}$Nb$_{1+x}$Sn$_{1-x}$ ($x$ = 0, 0.25, 0.50). Here, projector augmented wave approach (PAW) implemented in the Vienna…

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…

Band convergence is an effective strategy to improve the thermoelectric performance of complex bandstructure thermoelectric materials. Half-Heuslers are good candidates for band convergence studies because they have multiple bands near the…

In this work, we report the structural, magnetic and electrical and thermal transport properties of the Heusler-type alloy Ru2NbAl. From the detailed analysis of magnetization data, we infer the presence of superparamagnetically interacting…

In order to improve the thermoelectric performance of TiCoSb we have substituted 50% of Ti equally with Zr and Hf at Ti site and Sb with Sn and Se equally at Sb site. The electronic structure of Ti0.5Zr0.25Hf0.25CoSn0.5Se0.5 is investigated…

We explore the magnetotransport and thermoelectric (Seebeck and Nernst coefficients) properties of Mn3SnC an antiperovskite magnetic Nodal line semimetal. Mn3SnC shows paramagnetic (PM) to concurrent antiferromagnetic (AFM)/ferromagnetic…

We report the discovery of structural phase transitions and superconductivity in the full Heusler compounds $X$Pd$_2$Sn ($X$ = Ti, Zr, Hf), by means of electrical transport, magnetic susceptibility, specific heat and x-ray diffraction…

We investigate the electronic structure and magnetic properties of four quaternary Heusler alloys ZrMnVZ and ZrCoFeZ (Z=Si, Ge) by using first-principle calculations. It is shown that ZrMnVSi, ZrMnVGe and ZrCoFeSi are half-metallic…

We report a combined theoretical and experimental investigation of half-metallic ferromagnetism in equiatomic quaternary Heusler alloy CoRuMnSi. Room temperature XRD analysis reveals that the alloy crystallizes in L21 disorder instead of…

The newly discovered iron-based superconductors have triggered renewed enormous research interest in the condensed matter physics community. Nuclear magnetic resonance (NMR) is a low-energy local probe for studying strongly correlated…

We use a density-functional-theory (DFT) approach with a modified Becke-Johnson exchange plus local density approximation (LDA) correlation potential (mBJLDA) [semi-local, orbital-independent, producing accurate semiconductor gaps. see F.…

Ferrimagnetic semiconductors, integrated with net magnetization, antiferromagnetic coupling and semi-conductivity, have constructed an ideal platform for spintronics. For practical applications, achieving high N$\acute{e}$el temperatures…

A total of 5 different half-Heusler alloys, two p-type and two n-type with the fifth a charge compensated alloy have been designed and synthesized. The thermophysical properties of these alloys have been investigated in the range 10 K to…

HRTEM, nano-beam electronic diffraction, energy dispersive X-rays scanning spectroscopy, Vibrating Sample Magnetometry (VSM) and FerroMagnetic Resonance (FMR) techniques are used in view of comparing (static and dynamic) magnetic and…

In search of new prospects for thermoelectric materials, using ab-initio calculations and semi-classical Boltzmann theory, we have systematically investigated the electronic structure and transport properties of 18-valence electron count…

Noncollinear metallic antiferromagnets, with their rapid spin dynamics, efficient spin transport, and distinctive spin textures, play a pivotal role in advancing the field of spintronics. In this study, we report a comprehensive…