Pressure-Stabilized Superconductive Ionic Tantalum Hydrides

Zhuang, Quan; Jin, Xilian; Cui, Tian; Ma, Yiming; Lv, Qianqian; Liu, Ying; Zhang, Huadi; Meng, Xing; Bao, Kuo

doi:10.1021/acs.inorgchem.6b02822

Cited by 43 publications

(30 citation statements)

References 76 publications

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“…A review of the experimental studies, coupled with the results of DFT calculations that investigated the structures and electronic structures of the hydrides of tantalum up to 300 GPa is given in Ref. 124 This study showed that the XRD patterns for the theoretically predicted ambient pressure phases of Ta 2 H (C222) and Ta 5 H (C2), shown in Fig. 5(b,c), agreed well with those determined experimentally.…”

Section: Group 5: Vanadium Niobium Tantalumsupporting

confidence: 65%

The Search for Superconductivity in High Pressure Hydrides

Zarifi

Terpstra

et al. 2019

Reference Module in Chemistry, Molecular Sciences and Chemical Engineering

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The computational and experimental exploration of the phase diagrams of binary hydrides under high pressure has uncovered phases with novel stoichiometries and structures, some which are superconducting at quite high temperatures. Herein we review the plethora of studies that have been undertaken in the last decade on the main group and transition metal hydrides, as well as a few of the rare earth hydrides at pressures attainable in diamond anvil cells. The aggregate of data shows that the propensity for superconductivity is dependent upon the species used to "dope" hydrogen, with some of the highest values obtained for elements that belong to the alkaline and rare earth, or the pnictogen and chalcogen families.

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Section: Group 5: Vanadium Niobium Tantalumsupporting

confidence: 65%

The Search for Superconductivity in High Pressure Hydrides

Zarifi

Terpstra

et al. 2019

Reference Module in Chemistry, Molecular Sciences and Chemical Engineering

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“…The following works refer to studies of binary hydrides under pressure for which some of the information was taken Fig. 21: Li [542], K [543], Fr [434], Be [544], Mg [545], Ca [176], Sr [546,547] Ba [548], Ra [434], Sc [549], Y [182], La [182,177], (Ce, Pr, Nd, Ho, Er, Tm, and Lu) [434], Ac [550], Th [551], Pa [434,552], U [553], (Np, Cm) [434], (Ti,Zr,Hf) [434], V [554], Nb [555,556], Ta [557], Cr [558], W [559], Tc [560], Ru [561], Os [562], (Rh,Ir) [563], Pd [440,564], Pt [565,566,563,567], Au [563], B [568], Al [569], Ga [570], In [571], Si [159,572], Ge [573,574,…”

Section: Appendixmentioning

confidence: 99%

A perspective on conventional high-temperature superconductors at high pressure: Methods and materials

et al. 2020

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Two hydrogen-rich materials: H 3 S and LaH 10 , synthesized at megabar pressures have revolutionized the field of superconductivity by providing a first glimpse into the solution for the hundred-year-old problem of room-temperature superconductivity. The mechanism governing these exceptional superconductors is the conventional electron-phonon coupling. Here, we describe recent advances in experimental techniques, superconductivity theory and first-principles computational methods, which made this discovery possible. The aim of this work is to provide an up-to-date compendium of the available results on superconducting hydrides and explain the synergy of different methodologies that led to the extraordinary discoveries in the field. Furthermore, in an attempt to evidence empirical rules governing superconductivity in binary hydrides under pressure, we discuss general trends in electronic structure and chemical bonding. The last part of the Review introduces possible strategies to optimize pressure and transition temperatures in conventional superconducting materials. Directions for future research in areas of theory, computational methods and high-pressure experiments are proposed, in order to advance our understanding of superconductivity.

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“…10 After the maximum a sharp decline of maxT C occurs down to 13 K for Hf-H system (HfH 2 ) at 260 GPa, 12 while for the tantalum hydride Fdd2-TaH 6 was predicted as a superconductor with T C = 136 K at 300 GPa. 29 Hafnium has [Xe]4f 14 5d 2 6s 2 electronic configuration with two d-electrons where the only deep lying fully filled f-shell may negatively influent the superconducting properties of Hf-H phases. Obtained "failure" in the maxT C (N d ) dependence at the N d = 4 indicates about the presence of new stable polyhydrides in Hf-H system with higher T C .…”

Section: Period 6 Cs-ba-la-hf-tamentioning

confidence: 99%

On Distribution of Superconductivity in Metal Hydrides

Semenok

Kruglov

Savkin

et al. 2020

Current Opinion in Solid State and Materials Science

153

169

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Distribution of superconducting properties among metal hydrides was investigated using stateof-the-art computational simulation techniques. We proposed a search rule for high-T C metalhydrogen systems based on analysis of electronic structure of atomic s, d, f-orbitals. Results of actinides and lanthanides study show that they form highly symmetric superhydrides XH 7-9 at relatively low pressures. However, actinides do not exhibit high-temperature superconductivity (except for Th-H system) and should not be considered as materials appropriate for experimental studies, as well as all d m -elements with m > 4 including metal hydrides of the precious elements. A refinement rule based on monotonic behavior of the maximum achievable critical temperature as a function of d+f electrons, maxT C (N d+f ), was proposed for already known materials. Using this rule, the reported T C values for the higher hydrides in K-H, Zr-H, Hf-H and Ti-H systems were corrected. The dependences of maxT C on the group number, period, pressure, and phase composition of hydrides were investigated. Developed model enables to make new targeted predictions relating to existence of new superconducting compounds. For Mg-H, Sr-H, Ba-H, Cs-H, Rb-H, we predict the existence of new high-T C phases XH n with n ≥ 10. Electron doping of H-sublattice by pressure-driven delocalization of d,f-electrons is suggested as the key factor for determining superconductive properties of polyhydrides. Graphical abstract:

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Pressure-Stabilized Superconductive Ionic Tantalum Hydrides

Cited by 43 publications

References 76 publications

The Search for Superconductivity in High Pressure Hydrides

The Search for Superconductivity in High Pressure Hydrides

A perspective on conventional high-temperature superconductors at high pressure: Methods and materials

On Distribution of Superconductivity in Metal Hydrides

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