Synthesis and Structure of the New Ternary Nitride SrTiN₂

Abstract

A new ternary nitride, SrTiN(2), has been synthesized by the solid-state reaction of Sr(2)N with TiN and characterized by powder X-ray diffraction. SrTiN(2) crystallizes in the tetragonal space group P4/nmm (a = 3.8799(2) Å, c = 7.6985(4) Å, Z = 2) and is isostructural with KCoO(2). Titanium is coordinated to five nitrogens in a distorted square-based pyramidal geometry, forming layers of edge-sharing pyramids which stack along the (001) direction. Strontium is situated between the Ti-N layers and is coordinated to five nitrogen atoms. The title compound is only the third example of a ternary titanium nitride.

Prediction of high thermoelectric potential in AMN2 layered nitrides: electronic structure, phonons, and anharmonic effects

“…The vibrational properties should also be concurrently optimized, with the specic goal to reduce the lattice thermal conductivity in the denominator of the gure of merit. 42,43 The ternary AMN 2 compounds adopt, for instance, structures similar to those found in oxides and chalcogenides. 8 and 13) are usually expected for good thermoelectric materials.…”

First principles investigations on elastic and electronic properties of BaHfN2 under pressure

“…For examples, the synthesis of AMN 3 by Brese and Disalvo [15] and DiSalvo and Clarke [3], the synthesis, structure and magnetic properties of SrZrN 2 , SrHfN 2 , SrTiN 2 , BaHfN 2 and the BaHf 1−x Zr x N 2 solid solution by Gregory et al [16][17][18][19] and Sr 2 NbN 3 , BaThN 2 by Chen et al [20], a new PAD method to obtained ternary nitrides by Luo et al [11,12], the electronic and vibrational properties of BaHfN 2 by Kaur et al [21]. However, there are little reports on the inner properties of AMN 2 under pressure.…”

Structural, mechanical, electronic and optical properties of layered ternary nitrides SrZrN 2 and SrHfN 2 : First-principles calculations

“…Many efforts have been made to study transition-metal nitrides in the last decades [2][3][4][5][6][7][8][9]. Especially the ternary transition-metal nitrides featuring two metals have attracted wide attention and developed dramatically such as MWN 2 with M = Mn, Co, Ni, Fe [10,11], BaMN 2 with M = Zr, Hf [2,5,6,12], SrMN 2 with M = Ti, Zr, Hf [2,3,6,13,14], and [2,15,16].…”

“…This is due to the fact that the formal d-electron count d 0 for the M atom [3,13,14] introduces new properties and expands their application range of ternary nitrides of stoichiometry AMN 2 (A = alkali, alkaline earth or transition metal; M = lanthanide or transition metal). However, alkaline earth ternary nitrides are rarely studied.…”

“…However, the recent report has shown that SrTiN 2 manufactured by using the chemical solution approach of polymer-assisted deposition is a transparent semiconductor with a direct band gap of 3.65 eV [4]. Moreover, SrTiN 2 crystallizes in tetragonal structure with P4/nmm space group, which is isostructural with KCoO 2 [3,13]. How about the geometrical structure of SrZrN 2 and SrHfN 2 ?…”