Tellurium Hydrides at High Pressures: High-temperature Superconductors

Abstract

Observation of high-temperature superconductivity in sulfur hydrides at megabar pressures has generated an irresistible wave on searching for new superconductors in other compressed hydrogen-rich compounds. An immediate effort is towards exploration of the relevant candidate of tellurium hydrides, where tellurium is isoelectronic to sulfur but it has a heavier atomic mass and much weaker electronegativity. The hitherto unknown phase diagram of tellurium hydrides at high pressures was investigated by a first-principles swarm structure search. Four energetically stable and metallic stoichiometries of H4Te, H5Te2, HTe and HTe3 were uncovered above 140 GPa, showing a distinct potential energy map of tellurium hydrides from those in sulfur and selenium hydrides. The two hydrogen-rich H4Te and H5Te2 species adopt ionic structures containing exotic quasi-molecular H2 and linear H3 units, respectively. Strong electron-phonon couplings associated with the intermediate-frequency H-derived wagging and bending modes make them good superconductors with high Tc in the range of 46-104 K.

6 pages, 4 figures plus Supplemental materials. arXiv admin note: text overlap with arXiv:1502.02607

References in corpus (9)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Conventional superconductivity at 203 K at high pressures
• Superconductive "sodalite"-like clathrate calcium hydride at high pressures
• Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
• Pressure-induced decomposition of solid hydrogen sulfide
• What superconducts in sulfur hydrides under pressure, and why
• Cubic H${}_3$S around 200 GPa: an atomic hydrogen superconductor stabilized by sulfur
• Phase Diagram and High-Temperature Superconductivity of Compressed Selenium Hydrides
• Rubidium Polyhydrides Under Pressure: Emergence of the Linear H3- Anion

Cited by in corpus (28)

• A Perspective on Conventional High-Temperature Superconductors at High Pressure: Methods and Materials
• Hydrogen "penta-graphene-like" structure stabilized by hafnium: a high-temperature conventional superconductor
• Hydrogen-induced high-temperature superconductivity in two-dimensional materials: Example of hydrogenated monolayer MgB${}_2$
• Strong correlation between bonding network and critical temperature in hydrogen-based superconductors
• Possible Superconductivity Approaching Ice Point
• High-throughput discovery of high-temperature conventional superconductors
• High-pressure Phase Stability and Superconductivity of Pnictogen Hydrides and Chemical Trends for Compressed Hydrides
• Quantitative analysis of nonadiabatic effects in dense H${}_3$S and PH${}_3$ superconductors
• Tuning Chemical Precompression: Theoretical Design and Crystal Chemistry of Novel Hydrides in the Quest for Warm and Light Superconductivity at Ambient Pressures
• How Compressed Hydrides Produce Room Temperature Superconductivity
• Materials informatics based on evolutionary algorithms: Application to search for superconducting hydrogen compounds
• The Search for Superconductivity in High Pressure Hydrides
• Superconductivity of novel tin hydrides (Sn${}_n$H${}_m$) under pressure
• Strong Anharmonic and Quantum Effects in Pm-3n AlH3 Under High Pressure: A First-Principles Study
• Crystal Structures and Properties of Iron Hydrides at High Pressure
• High-Temperature Superconductivity in the Ti--H System at High Pressures
• Quantum anharmonic enhancement of superconductivity in $P{6}_3/mmc$ ScH${}_6$ at high pressures: a first-principles study
• Prediction of Room-Temperature Superconductivity in Quasi-atomic H2-Type Hydrides at High Pressure
• Superconductivity and unexpected chemistry of germanium hydrides under pressure
• SGO: An ultrafast engine for ab initio atomic structure global optimization by differential evolution
• High-pressure structures and superconductivity of bismuth hydrides
• Hydride Units Filled B--C Clathrate: A New Pathway for High-Temperature Superconductivity at Ambient Pressure
• Decomposition of solid hydrogen bromide at high pressure
• Strong electron-phonon coupling and predicted highest known $T_c$ of MXenes revealed in 2H-Mo${}_2$N under biaxial stress
• Phase diagram and superconductivity of polonium hydrides under high pressure
• Characterization of the superconducting phase in tellurium hydride at high pressure
• Pressure-induced high temperature superconductivity in H3X (X=As, Se, Br, Sb, Te and I)
• A first principles study of high pressure phase diagram of bismuth at 0 ~14 GPa based on structure search and quasi-harmonic approximation