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Title: Phase stability and mechanical properties of Mo 1- x N x with 0 ≤ x ≤ 1
Award ID(s):
1712752 1629230 1537984
PAR ID:
10052092
Author(s) / Creator(s):
 ;  ;  
Publisher / Repository:
American Institute of Physics
Date Published:
Journal Name:
Journal of Applied Physics
Volume:
122
Issue:
19
ISSN:
0021-8979
Page Range / eLocation ID:
195101
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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  1. Abstract

    The highest ambient‐pressure Tc among binary compounds is 40 K (MgB2). Higher Tc is achieved in high‐pressure hydrides or multielement cuprates. Alternatively, are explored superconducting properties of binary, metastable sub‐oxides, that may emerge under extremely low oxygen partial pressure. The emphasis is on the rock‐salt structure, which is known to promote superconductivity, and exploring AlO, ScO, TiO, and NbO. Dynamic lattice stability is achieved by introducing metal and oxygen vacancies in the fashion of Nb1−xO1−x‐type structure (x = ¼). The electron‐phonon (e‐ph) coupling is remarkably large in Al1−xO1−xand Ti1−xO1−x(λ ≈ 2 at x = ¼), with Tc ≈ 35 K according to the Allen–Dynes equation. Significantly, the coupling strength is comparable to that in high‐pressure hydrides, yet, in contrast to hydrides and MgB2, the coupling is largely driven by low frequency phonons. Sc1−xO1−xand Nb1−xO1−xshow significantly smaller λ and Tc. Further, hydrogen intercalation to boost λ and Tc is investigated. Only Ti1−x(O1−xHx) and Nb1−x(O1−xHx) are dynamically stable upon intercalation, where H, respectively, decreases and increases Tc. The effect of H doping on electronic structure and Tc is discussed. Altogether, the study suggests that metal sub‐oxides are promising compounds to achieve strong e‐ph coupling at ambient pressure.

     
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