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We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…

Materials Science · Physics 2025-09-24 Jonathan H. Fetherolf , Petra Shih , Timothy C. Berkelbach

The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation theory and the "$2n+1$" theorem to calculate anharmonic…

Materials Science · Physics 2015-06-16 Lorenzo Paulatto , Ion Errea , Matteo Calandra , Francesco Mauri

Pressure-stabilized hydrides are a new rapidly growing class of high-temperature superconductors which is believed to be described within the conventional phonon-mediated mechanism of coupling. Here we report the synthesis of yttrium…

Fundamental upper bounds on the electron-phonon interaction strength and superconducting transition temperature $T_c$ in metals are established based on the intrinsic instability of the equilibrium between electrons and the crystal lattice…

Superconductivity · Physics 2025-08-05 Dmitrii V. Semenok , Boris L. Altshuler , Emil A. Yuzbashyan

It is shown that the translation-invariant bipolaron theory of superconductivity can explain the dependence of the isotope coefficient in high-temperature superconductors on the critical temperature of a superconducting transition: in the…

Superconductivity · Physics 2020-12-15 Victor D. Lakhno

Discovery of superconductivity at megabar (MB) pressures in hydrogen sulfide H3S, then in metal polyhydrides, starting with binary, LaH10, etc., and ending with ternary ones, including (La, Y)H10, revolutionized the field of condensed…

Satterthwaite and Toepke (1970 Phys. Rev. Lett. 25 741) discovered that Th4H15-Th4D15 superhydrides are superconducting but exhibit no isotope effect. As the isotope effect is a fundamental prediction of electron-phonon mediated…

Superconductivity · Physics 2020-01-28 E. F. Talantsev , R. C. Mataira

In the theory of electron-phonon superconductivity both the magnitude of the electron-phonon coupling $\lambda$ as well as the Coulomb pseudopotential $\mu^*$ are important to determine the transition temperature $T_c$ and other properties.…

Superconductivity · Physics 2013-04-24 Johannes Bauer , Jong E. Han , Olle Gunnarsson

Making use of first-principles calculations we analyze the effect of quantum ionic fluctuations and lattice anharmonicity on the crystal structure and superconductivity of I-43m CH4-H3S, one of the lowest enthalpy structures in the C-S-H…

Materials Science · Physics 2024-12-25 Pugeng Hou , Francesco Belli , Tiange Bi , Eva Zurek , Ion Errea

Coupling between electrons and phonons (lattice vibrations) drives the formation of the electron pairs responsible for conventional superconductivity. The lack of direct evidence for electron-phonon coupling in the electron dynamics of the…

Metal-stuffed B$-$C compounds with sodalite clathrate structure have captured increasing attention due to their predicted exceptional superconductivity above liquid nitrogen temperature at ambient pressure. However, by neglecting the…

Superconductivity · Physics 2026-01-13 Wenbo Zhao , Ying Sun , Jiaxiang Li , Peng Yuan , Toshiaki Iitaka , Xin Zhong , Hefei Li , Yue-Wen Fang , Hanyu Liu , Ion Errea , Yu Xie

Two hydrogen-rich materials, H$_3$S and LaH$_{10}$, synthesized at megabar pressures, have revolutionized the field of condensed matter physics providing the first glimpse to the solution of the hundred-year-old problem of room temperature…

Recent predictions of metastable high-temperature hydride superconductors give hope that superconductivity at ambient conditions is within reach. In this work, we predict RbPH$_3$ as a new compound with a superconducting critical…

Since the discovery of superconductivity at 200 K in H3S [1] similar or higher transition temperatures, Tcs, have been reported for various hydrogen-rich compounds under ultra-high pressures [2]. Superconductivity was experimentally proved…

The recent report of superconductivity under high pressure at the record transition temperature of Tc=203K in sulfur hydride has been identified as conventional in view of the observation of an isotope effect upon deuteration. Here it is…

Superconductivity · Physics 2016-05-24 Annette Bussmann-Holder , Jurgen Kohler , M. -H. Whangbo , Antonio Bianconi , Arndt Simon

Two-dimensional transition metal carbides and nitrides (MXenes) are an emerging class of atomically-thin superconductors, whose characteristics are highly prone to tailoring by surface functionalization. Here we explore the use of hydrogen…

Superconductivity · Physics 2022-04-11 Jonas Bekaert , Cem Sevik , Milorad V. Milosevic

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$_4$,…

Materials Science · Physics 2020-05-20 Jin Zhang , Jeffrey M. McMahon , Artem R. Oganov , Xinfeng Li , Xiao Dong , Huafeng Dong , Shengnan Wang

The size effect in the gas of impuritons of the superfluid mixtures of helium isotopes is investigated by taking into consideration the contribution of thermal excitations. The solution is obtained for the set of kinetic equations…

Condensed Matter · Physics 2007-05-23 A. I. Chervanyov

The recent discovery of superconductivity in oxypnictides with the critical temperature (TC) higher than McMillan limit of 39 K (the theoretical maximum predicted by Bardeen-Cooper-Schrieffer (BCS) theory) has generated great excitement.…

Superconductivity · Physics 2015-05-13 R. H. Liu , T. Wu , G. Wu , H. Chen , X. F. Wang , Y. L. Xie , J. J. Yin , Y. J. Yan , Q. J. Li , B. C. Shi , W. S. Chu , Z. Y. Wu , X. H. Chen

The nonadiabatic electron-phonon corrections for the superconducting pairing are investigated for a specific tight-binding model corresponding to a 2d square lattice. This permits to investigate the role of various specific properties like…

Superconductivity · Physics 2009-10-31 A. Perali , C. Grimaldi , L. Pietronero