Related papers: Shallow impurity band in ZrNiSn
We have measured the specific heat of zincblende ZnS for several isotopic compositions and over a broad temperature range (3 to 1100 K). We have compared these results with calculations based on ab initio electronic band structures,…
We explore the structural, electronic, mechanical and thermoelectric properties of a new half Heusler compound, HfPtPb which is all metallic heavy element and has been recently been proposed to be stable [Nature Chem 7 (2015) 308]. In the…
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…
We present results of electronic band structure, Fermi surface and electron transport properties calculations in orthorhombic $n$- and $p$-type SnSe, applying Korringa-Kohn-Rostoker method and Boltzmann transport approach. The analysis…
The self-interaction corrected local spin-density approximation is used to investigate the ground-state valency configuration of transition metal (TM=Mn, Co) impurities in p-type ZnO. Based on the total energy considerations, we find a…
Half-Heusler (HH) compounds have shown high Figure of merits up to 1.5. The key to these high thermoelectric efficiencies is an intrinsic phase separation, which occurs in multicomponent Half-Heusler compounds and leads to an significantly…
In this paper, we report the theoretical investigation and experimental realization of a new spin-gapless semiconductor (SGSs) compound CoFeMnSn belonging to the family of quaternary Heusler alloys. Through the use of several ground-state…
The half-Heusler compound CuMnSb, the first antiferromagnet (AFM) in the Mn-based class of Heuslers and half-Heuslers that contains several conventional and half metallic ferromagnets, shows a peculiar stability of its magnetic order in…
We would like to comment that the prediction of Half-mtallicity in only B edge H-passivated zigzag boron nitride nanoribbons (ZBNNR-BH), by Zheng et al.1, is not correct as their interpretation is erroneous. Since it is well known that for…
Understanding the complexities of electronic and magnetic ground states in solids is one of the main goals of solid-state physics. Materials with the canonical ThCr$_2$Si$_2$-type structure have proved particularly fruitful in this regards,…
We present an analysis of the thermoelectric properties of of $n$-type GeTe and SnTe in relation to the lead chalcogenides PbTe and PbSe. We find that the singly degenerate conduction bands of semiconducting GeTe and SnTe are highly…
XYZ half-Heusler phases are often described as a XZ rock salt sublattice with an interstitial Y atom. However, transport across a solid solution between rock salt and half-Heusler structures has not previously been studied. In this paper,…
The topic of superconductivity in strongly disordered materials has attracted a significant attention. In particular vivid debates are related to the subject of intrinsic spatial inhomogeneity responsible for non-BCS relation between the…
Topological nodal-line semimetals represent a unique class of materials with intriguing electronic structures and rich of symmetries, hosting electronic states with nontrivial topological properties. Among these, ZrAs$_2$ stands out,…
Efficient thermoelectric materials should present large Seebeck coefficient, high electrical conductivity and low thermal conductivity. An enhanced Seebeck coefficient can be obtained from materials where the Fermi level can be aligned with…
Although strong electronic correlations are known to be responsible for some highly unusual behaviors of solids such as, metal--insulator transitions, magnetism and even high--temperature superconductivity, their interplay with recently…
Here we investigate the thermodynamic and electronic properties of Eu$_{11}$InSb$_9$ single crystals. Electrical transport data show that Eu$_{11}$InSb$_9$ has a semiconducting ground state with a relatively narrow band gap of $320$~meV.…
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…
Scaling of transistors has enabled continuous improvements in logic device performance, especially through materials engineering. However, surpassing horizontal limitations in chip manufacturing requires a vertical, third dimension.…
The unique structure of Zintl phase makes it an ideal system to realize the concept of phonon-glass and electron-crystal in the thermoelectric community. In this work, by combining first-principles calculations and Boltzmann transport…