Room-Temperature Superconductivity in Boron-Nitrogen Doped Lanthanum Superhydride

Abstract

Recent theoretical and experimental studies of hydrogen-rich materials at megabar pressures (i.e., >100 GPa) have led to the discovery of very high-temperature superconductivity in these materials. Lanthanum superhydride LaH${}_{10}$ has been of particular focus as the first material to exhibit a superconducting critical temperature (T${}_c$) near room temperature. Experiments indicate that the use of ammonia borane as the hydrogen source can increase the conductivity onset temperatures of lanthanum superhydride to as high as 290 K. Here we examine the doping effects of B and N atoms on the superconductivity of LaH${}_{10}$ in its fcc (Fm-3m) clathrate structure at megabar pressures. Doping at H atomic positions strengthens the H${}_{32}$ cages of the structure to give higher phonon frequencies that enhance the Debye frequency and thus the calculated T${}_c$. The predicted T${}_c$ can reach 288 K in LaH${}_{9.985}$N${}_{0.015}$ within the average high-symmetry structure at 240 GPa.

arXiv comment10 pages, 4 figures

References in corpus (19)

• Phonons and related properties of extended systems from density-functional perturbation theory
• Relativistic separable dual-space Gaussian Pseudopotentials from H to Rn
• Superconductivity at 250 K in lanthanum hydride under high pressures
• Evidence for superconductivity above 260 K in lanthanum superhydride at megabar pressures
• A Perspective on Conventional High-Temperature Superconductors at High Pressure: Methods and Materials
• Quantum Crystal Structure in the 250 K Superconducting Lanthanum Hydride
• LaBH${}_8$: the first high-T${}_c$ low-pressure superhydride
• Prediction of high-Tc superconductivity in ternary lanthanum borohydrides
• Superconductivity of $La{H}_{10}$ and $La{H}_{16}$ polyhydrides
• Possible Superconductivity Approaching Ice Point
• High-temperature superconductivity on the verge of a structural instability in lanthanum superhydride
• Hole-Doped Room-Temperature Superconductivity in H${}_3$S${}_{1-x}$Z${}_x$ (Z=C, Si)
• The Search for Superconductivity in High Pressure Hydrides
• Stabilization mechanism of clathrate H cages in a room-temperature superconductor LaH${}_{10}$
• Pressure dependence of the superconducting transition temperature of compressed LaH${}_{10}$
• Stability and superconductivity of lanthanum and yttrium decahydrides
• ${\mathcal{P}}^2$: Combining pressure and electrochemistry to synthesize superhydrides
• Supercell studies of the Fermi surface changes in the electron-doped superconductor LaFeAsO${}_{1-x}$F${}_x$
• Reaching room temperature superconductivity by optimizing doping in LaH${}_{10}$?

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