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The multiple scattering-based theory of Gaspari and Gyorffy for the electron-ion matrix element in close packed metals is applied to Im-3m H3S, which has been predicted by Duan {\it et al.} and Bernstein {\it et al} to be the stable phase…

Superconductivity · Physics 2015-05-28 D. A. Papaconstantopoulos , B. M. Klein , M. J. Mehl , W. E. Pickett

Metallic hydrogen, existing in remarkably extreme environments, was predicted to exhibit long-sought room-temperature superconductivity. Although the superconductivity of metallic hydrogen has not been confirmed experimentally,…

Superconductivity · Physics 2024-06-12 Zihan Zhang , Wendi Zhao , Defang Duan , Tian Cui

Homoepitaxial diamond layers doped with boron in the 10^20-10^21 /cm3 range are shown to be type II superconductors with sharp transitions (~0.2K) at temperatures increasing from 0 to 2.1 K with boron contents. The critical concentration…

The electronic and magnetic properties of the new hydride superconductor CaFeAsH, which superconducts up to 47 K when electron-doped with La, and the isovalent alloy system CaFeAsH$_{1-x}$F$_x$ are investigated using density functional…

Strongly Correlated Electrons · Physics 2016-06-09 Y. N. Huang , D. Y. Liu , L. J. Zou , W. E. Pickett

We show the possibility of inducing a superconductive phase transition in tetrahedrally coordinated semiconductors via field-effect (FET) doping by taking as an example the hydrogenated (111) silicon surface. We perform density functional…

Superconductivity · Physics 2020-10-12 Davide Romanin

Recently, there is a series of reports by Wang et al. on the superconductivity in K-doped p-terphenyl (KxC18H14) with the transition temperatures range from 7 to 123 Kelvin. Identifying the structural and bonding character is the key to…

Superconductivity · Physics 2018-05-24 Guo-Hua Zhong , Xiao-Hui Wang , Ren-Shu Wang , Jia-Xing Han , Chao Zhang , Xiao-Jia Chen , Hai-Qing Lin

High-pressure metal superhydrides have attracted intense scientific interest due to their remarkable superconducting properties. While superconductivity is known to be sensitive to material composition, compositional variability is often…

Superconductivity · Physics 2025-04-04 Xixi Jia , Haoran Chen , Xiaoqiu Ye , Jian Lv , Xitian Zhang , Hui Wang , Yansun Yao

We propose a new route to achieve the superconducting state in Boron-rich solids, the hole doping of B$_{12}$ icosahedra. For this purpose we consider a prototype metallic phase of B$_{13}$C$_2$. We show that in this compound the Boron…

Superconductivity · Physics 2009-11-10 Matteo Calandra , Nathalie Vast , Francesco Mauri

Pressure as a clean and efficient tool can bring about unexpected extraordinary physical and chemical properties of matters. The recent discoveries of superconductivity at nearly room temperature in hydrides highlight the power of pressure…

Superconductivity · Physics 2022-08-22 Di Peng , Ren-Shu Wang , Li-Na Zong , Xiao-Jia Chen

The transition metal nitride BaHfN$_2$, which consists of weakly bonded neutral slabs of closed shell ions, has structural and chemical similarities to other layered nitrides which have impressive superconducting T$_c$ when electron doped:…

Materials Science · Physics 2010-10-20 Amandeep Kaur , Erik R. Ylvisaker , Yan Li , Giulia Galli , Warren E. Pickett

Using electronic structure calculation we study the superconducting properties of the theoretically-devised superconductor MS1-LiB (LiB). We calculate the electron-phonon coupling ($\lambda=0.62$) and the phonon frequency logarithmic…

Superconductivity · Physics 2007-05-23 Matteo Calandra , Aleksey N. Kolmogorov , Stefano Curtarolo

Electronic structure of recently discovered isotypic ternary borides Li$_2$Pd$_3$B and Li$_2$Pt$_3$B, with noncentrosymmetric crystal structures, is studied with a view to understanding their superconducting properties. Estimates of the…

Superconductivity · Physics 2015-06-25 S. K. Bose , E. S. Zijlstra

This contribution provides a partial response to the titular statement since, it will be claimed,the ``why'' is not yet understood, but there is a pathway for achieving a more complete understanding. The sense of the community has been…

Superconductivity · Physics 2025-08-27 Warren E. Pickett

Recently, Lee et al. reported the experimental discovery of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (LK-99) (arXiv:2307.12008, arXiv:2307.12037). Remarkably, the superconductivity persists up to 400 K…

Materials Science · Physics 2023-08-07 Junwen Lai , Jiangxu Li , Peitao Liu , Yan Sun , Xing-Qiu Chen

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…

Superconductivity · Physics 2019-03-08 Tiange Bi , Niloofar Zarifi , Tyson Terpstra , Eva Zurek

Recently it was claimed that nitrogen-doped lutetium hydride exhibited a near-ambient superconducting transition with a temperature of 294 K at a pressure of only 10 kbar, this pressure being several orders of magnitude lower than…

Superconductivity emerges in $1T$-TiSe$_2$ when its charge density wave (CDW) order is suppressed by Cu intercalation or pressure. Since the CDW state is thought to be an excitonic insulator, an interesting question is whether the…

Superconductivity · Physics 2021-11-24 Tae-Ho Park , Obinna P. Uzoh , Han-Yong Choi

We present theoretical and experimental studies of superconductivity and low temperature structural phase boundaries in lithium. We mapped the structural phase diagram of 6Li and 7Li under hydrostatic conditions between 5 top 55GPa and…

Evolutionary structure searches revealed a plethora of stable and low-enthalpy metastable phases in the S-P-H ternary phase diagram under pressure. A wide variety of crystalline structure types were uncovered ranging from those possessing…

Superconductivity · Physics 2022-05-04 Nisha Geng , Tiange Bi , Eva Zurek

A key challenge in materials discovery is to find high-temperature superconductors. Hydrogen and hydride materials have long been considered promising materials displaying conventional phonon-mediated superconductivity. However, the high…

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