Physical Review B, volume 101, issue 13, publication number 134108
High-temperature superconductivity in the Ti-H system at high pressures
Zhang Jin
1
,
McMahon Jeffrey
1
,
Oganov A. R.
2, 3, 4
,
Li Xinfeng
5
,
Dong Xiao
6
,
Dong Huafeng
7
,
Wang Shengnan
8
1
Department of Physics and Astronomy, Washington State University, Pullman, Washington 99164, USA
|
8
Department of Geosciences, Center for Materials by Design, and Institute for Advanced Computational Science, State University of New York, Stony Brook, New York 11794-2100, USA
|
Publication type: Journal Article
Publication date: 2020-04-17
Journal:
Physical Review B
Quartile SCImago
Q1
Quartile WOS
Q2
Impact factor: 3.7
ISSN: 24699950, 24699969, 10980121, 1550235X
Abstract
Search for stable high-pressure compounds in the Ti--H system reveals the existence of titanium hydrides with new stoichiometries, including Ibam-Ti$_2$H$_5$, I4/m-Ti$_5$H$_{13}$, I$\bar{4}$-Ti$_5$H$_{14}$, Fddd-TiH$_4$, Immm-Ti$_2$H$_{13}$, P$\bar{1}$-TiH$_{12}$, and C2/m-TiH$_{22}$. Our calculations predict I4/mmm $\rightarrow$ R$\bar{3}$m and I4/mmm $\rightarrow$ Cmma transitions in TiH and TiH$_2$, respectively. Phonons and the electron--phonon coupling of all searched titanium hydrides are analyzed at high pressure. It is found that Immm-Ti$_2$H$_{13}$ rather than the highest hydrogen content C2/m-TiH$_{22}$, exhibits the highest superconducting critical temperature T$_{c}$. The estimated T$_{c}$ of Immm-Ti$_2$H$_{13}$ and C2/m-TiH$_{22}$ are respectively 127.4--149.4 K ($\mu^{*}$=0.1-0.15) at 350 GPa and 91.3--110.2 K at 250 GPa by numerically solving the Eliashberg equations. One of the effects of pressure on T$_{c}$ can be attributed to the softening and hardening of phonons with increasing pressure.
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- We do not take into account publications that without a DOI.
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- Statistics recalculated weekly.
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Zhang J. et al. High-temperature superconductivity in the Ti-H system at high pressures // Physical Review B. 2020. Vol. 101. No. 13. 134108
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Zhang J., McMahon J., Oganov A. R., Li X., Dong X., Dong H., Wang S. High-temperature superconductivity in the Ti-H system at high pressures // Physical Review B. 2020. Vol. 101. No. 13. 134108
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TY - JOUR
DO - 10.1103/PhysRevB.101.134108
UR - https://doi.org/10.1103%2FPhysRevB.101.134108
TI - High-temperature superconductivity in the Ti-H system at high pressures
T2 - Physical Review B
AU - Zhang, Jin
AU - McMahon, Jeffrey
AU - Oganov, A. R.
AU - Li, Xinfeng
AU - Dong, Xiao
AU - Dong, Huafeng
AU - Wang, Shengnan
PY - 2020
DA - 2020/04/17 00:00:00
PB - American Physical Society (APS)
IS - 13
VL - 101
SN - 2469-9950
SN - 2469-9969
SN - 1098-0121
SN - 1550-235X
ER -
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@article{2020_Zhang,
author = {Jin Zhang and Jeffrey McMahon and A. R. Oganov and Xinfeng Li and Xiao Dong and Huafeng Dong and Shengnan Wang},
title = {High-temperature superconductivity in the Ti-H system at high pressures},
journal = {Physical Review B},
year = {2020},
volume = {101},
publisher = {American Physical Society (APS)},
month = {apr},
url = {https://doi.org/10.1103%2FPhysRevB.101.134108},
number = {13},
doi = {10.1103/PhysRevB.101.134108}
}