496 citations · 5k across the 81 of their papers we have counts for
38 papers · 1 filter
Quantum geometry and critical temperature enhancement in MgB superconductivity
Yi Jiang, Haoyu Hu, Dumitru Călugăru +13
MgB, a phonon-mediated superconductor with record-high critical temperature K, is revisited to obtain a comprehensive theory of electrons, phonons, and their cou…
Soft Mode Origin of Charge Ordering in Superconducting Kagome CsVSb
Philippa Helen McGuinness, Fabian Henssler, Manex Alkorta +12
Charge-density-wave (CDW) order and superconductivity coexist in the kagome metals AVSb (A=K, Cs, Rb), raising fundamental questions about the mechanisms driving their inte…
A Comprehensive Study on APdH: From Ambient to High Pressure
Zahra Alizadeh, Yue-Wen Fang, Ion Errea +1
We present a comprehensive first--principles study of the structural stability and superconducting behavior of LiPdH under high pressure. Using random structure searching a…
Search for thermodynamically stable ambient-pressure superconducting hydrides in GNoME database
Antonio Sanna, Tiago F. T. Cerqueira, Ekin Dogus Cubuk +2
Hydrides are considered to be one of the most promising families of compounds for achieving high temperature superconductivity. However, there are very few experimental reports of…
Superconductivity in RbH at low pressures: an \emph{ab initio} study
Đorđe Dangić, Manex Alkorta, Yuewen Fang +1
High-pressure polyhydrides are leading contenders for room temperature superconductivity. The next frontier lies in stabilizing them at ambient pressure, which would allow their pr…
Real-space understanding of electron-phonon coupling in superconducting hydrides
Trinidad Novoa, Francesco Belli, Raffaello Bianco +2
Electron-phonon coupling is at the origin of conventional superconductivity, enabling the pairing of electrons into Cooper pairs. The electron-phonon matrix elements depend on the…
The Maximum of Conventional Superconductors at Ambient Pressure
Kun Gao, Tiago F. T. Cerqueira, Antonio Sanna +6
The theoretical maximum critical temperature () for conventional superconductors at ambient pressure remains a fundamental question in condensed matter physics. Through analys…
From superconductivity to non-superconductivity in LiPdH: a first principle approach
Zahra Alizadeh, Yue-Wen Fang, Ion Errea +1
The layered structure of LiPdH was theoretically suggested to be a superconductor as a result of its larger electron-phonon coupling constant compared to that of PdH. However, the…
A chemical bonding based descriptor for predicting the impact of quantum nuclear and anharmonic effects on hydrogen-based superconductors
Francesco Belli, Eva Zurek, Ion Errea
Quantum nuclear effects (QNEs) can significantly alter a material's crystal structure and phonon spectra, impacting properties such as thermal conductivity and superconductivity. H…
The Impact of Ionic Anharmonicity on Superconductivity in Metal-Stuffed B-C Clathrates
Wenbo Zhao, Ying Sun, Jiaxiang Li +8
Metal-stuffed BC compounds with sodalite clathrate structure have captured increasing attention due to their predicted exceptional superconductivity above liquid nitrogen temper…
Superconductivity in barium hydrides via incorporation of light elements
Yue-Wen Fang, Ion Errea
Barium hydrides are of interest for their potential in both ionic conductivity and superconductivity. Recently, a superconducting hydride BaH containing H and H${_3}^{-1…
Ambient pressure high temperature superconductivity in RbPH facilitated by ionic anharmonicity
Đorđe Dangić, Yue-Wen Fang, Tiago F. T. Cerqueira +3
Recent predictions of metastable high-temperature hydride superconductors give hope that superconductivity at ambient conditions is within reach. In this work, we predict RbPH…
Searching Materials Space for Hydride Superconductors at Ambient Pressure
Tiago F. T. Cerqueira, Yue-Wen Fang, Ion Errea +2
We employed a machine-learning assisted approach to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. Our in…
Molecularity: a fast and efficient criterion for probing superconductivity
Matías E. di Mauro, Benoît Braïda, Ion Errea +2
We present an efficient criterion for probing the critical temperature of hydrogen based superconductors. We start by expanding the applicability of 3D descriptors of electron loca…
Prediction of Ambient Pressure Conventional Superconductivity above 80K in Thermodynamically Stable Hydride Compounds
Antonio Sanna, Tiago F. T. Cerqueira, Yue-Wen Fang +3
The primary challenge in the field of high-temperature superconductivity in hydrides is to achieve a superconducting state at ambient pressure rather than the extreme pressures tha…
Assessing the feasibility of near-ambient conditions superconductivity in the Lu-N-H system
Yue-Wen Fang, Ðorđe Dangić, Ion Errea
The recent report of near-ambient superconductivity in nitrogen-doped lutetium hydrides (Lu-N-H) has generated a great interest. However, conflicting results have raised doubts reg…
Reply to "Comment on 'Nontrivial Quantum Geometry and the Strength of Electron-Phonon Coupling', arXiv:2305.02340, J. Yu, C. J. Ciccarino, R. Bianco, I. Errea, P. Narang, B. A. Bernevig"
Jiabin Yu, Christopher J. Ciccarino, Raffaello Bianco +3
This is our reply to "Comment on 'Nontrivial Quantum Geometry and the Strength of Electron-Phonon Coupling', arXiv:2305.02340, J. Yu, C. J. Ciccarino, R. Bianco, I. Errea, P. Naran…
Ab initio study of the structural, vibrational and optical properties of potential parent structures of nitrogen-doped lutetium hydride
Đorđe Dangić, Peio Garcia-Goiricelaya, Yue-Wen Fang +2
The recent report of near-ambient conditions superconductivity in a nitrogen-doped lutetium hydride has inspired a large number of experimental studies with contradictory results.…
Nontrivial Quantum Geometry and the Strength of Electron-Phonon Coupling
Jiabin Yu, Christopher J. Ciccarino, Raffaello Bianco +3
The coupling of electrons to phonons (electron-phonon coupling) is crucial for the existence of various phases of matter, in particular superconductivity and density waves. Here, w…
Large impact of phonon lineshapes on the superconductivity of solid hydrogen
Đorđe Dangić, Lorenzo Monacelli, Raffaello Bianco +2
Phonon anharmonicity plays a crucial role in determining the stability and vibrational properties of high-pressure hydrides. Furthermore, strong anharmonicity can render phonon qua…
Superconductivity in the doped polymerized fullerite clathrate from first principles
Jorge Laranjeira, Ion Errea, Dorde Dangic +3
Superconductivity in the new polymerized C60 fullerite clathrate doped with simple metals was investigated through density functional theory methods. The phonon dispersion curves w…
Ab initio study of metastable occupation of tetrahedral sites in palladium hydrides and its impact on superconductivity
Antonella Meninno, Ion Errea
A recent experimental work on palladium hydrides suggested that metastable structures with hydrogen atoms occupying tetrahedral sites could lead to superconductivity above 50 K, a…
Absence of sizable superconductivity in hydrogen boride: A first principles study
Antonella Meninno, Ion Errea
The recently synthesized hydrogen boride monolayer in the Cmmm phase is a promising super-conductor due to its similarity to MgB2 and the large hydrogen content in its structure. M…
Superconducting hydrides on a quantum landscape
Ion Errea
Reaching superconductivity at ambient conditions is one of the biggest scientific dreams. The discoveries in the last few years at high pressures place hydrogen-based compounds as…