Systematical, experimental investigations on LiMgZ (Z = P, As, Sb) wide band gap semiconductors

Abstract

This work reports on the experimental investigation of wide band gap compounds LiMgZ (Z = P, As, Sb), which are promising candidates for opto-electronics and anode materials for lithium batteries. The compounds crystallize in the cubic (C1 b ) MgAgAs structure (space group ). The polycrystalline samples are synthesized by solid-state reaction methods. X-ray and neutron diffraction measurements show homogeneous, single-phased samples. The electronic properties are studied using the direct current method. Additionally, UV–Vis diffuse reflectance spectra are recorded in order to investigate the band gap nature. The measurements show that all compounds exhibit semiconducting behaviour with direct band gaps of 1.0–2.3 eV depending on the Z element. A decrease in the peak widths in the static 7Li nuclear magnetic resonance spectra with increasing temperature is observed, which can be directly related to an increase in Li ion mobility.

Heusler 4.0: Tunable Materials

“…The QSH state was subsequently realized in a HgTe/CdTe quantum well structure (78): materials that crystallize in the same space group (F 43m) as the XZ binary semiconductors (HgTe, CdTe, ZnS) include diamond and the Half-Heusler compounds. Half-Heusler semiconductors with 8 or 18 VEs exist with a wide range of band-gaps (79,80), and the possibility to find half -Heuslers with a topologically non-trivial state was quickly realized (81,82). A set of half -Heuslers that could be classified into topologically trivial and potentially non-trivial materials was proposed.…”

First principles study of thermoelectric properties of Li-based half-Heusler alloys

“…In this paper, we follow a similar approach to investigate the thermoelectric properties of Li-based Nowotny-Juza phase (X I Y II Z V ) [13] HHs having VEC = 8 in their primitive cell. There exists reports for the synthesis of some of Li-based X I Y II Z V HHs [14][15][16].…”

Soft Chemistry, Coloring and Polytypism in Filled Tetrahedral Semiconductors: Toward Enhanced Thermoelectric and Battery Materials

“…The LiZnP prepared in this manner exhibits nanoscale particle sizes and colloidal stability. LiZnP is a particular interesting compound due to its suggested application in thermoelectrics, photovoltaics, Li‐ion batteries, and as a neutron detector . The bandgap and lattice constant of LiZnP are in good agreement with CdS, making the former an ideal low toxicity substitute for the latter …”

“…Li-based Nowotny-Juza phases typically adopt either the cubic MgAgAs-type or hexagonal LiGaGe-typec rystal structures ( Figure 1), which are most closely relatedt ot he zinc-blende and wurtzite frameworks, respectively.R ecently,L iZnP became the first filled tetrahedral semiconductor to be prepared by a low temperature, solution-phase method. [19] The LiZnP prepared in this manner exhibitsn anoscale particle sizes and colloidal stability.L iZnP is ap articular interesting compound due to itss uggested application in thermoelectrics, [20] photovoltaics, [21,22] Li-ion batteries, [23] and as an eutron detector. [24] The bandgapa nd lattice constant of LiZnP are in good agreement with CdS, making the former an ideal lowt oxicity substitute for the latter.…”