149 citations · 220 across the 22 of their papers we have counts for
15 papers · 1 filter
Anharmonic lattice dynamics and superconductivity in strained bulk and surface niobium
Mihir Ranjan Sahoo, Roman Lucrezi, Pedro Nunes Ferreira +5
Using first-principles calculations, we investigate how homogeneous strain and crystallographic surface orientation modify the vibrational and superconducting properties of niobium…
Fast Real-Axis Eliashberg Calculations: Full-bandwidth solutions beyond the constant density of states approximation
Alejandro Simon, James Shi, Dominik Spath +10
Experimentally relevant signatures of superconductivity require access to real-frequency quantities, such as the spectral functions, optical response, and transport properties, yet…
Ultrafast dynamics and light-induced superconductivity from first principles
Alejandro Simon, James Shi, Eva Kogler +9
Experiments on superconducting materials have unveiled unique emergent properties when they are driven far from equilibrium. However, a quantitative first-principles treatment that…
Ambient-pressure 151-K superconductivity in HgBa2Ca2Cu3O8+δ via pressure quench
Liangzi Deng, Thacien Habamahoro, Artin Safezoddeh +10
Superconductivity has been a vigorously researched topic since its discovery in 1911. Raising the superconducting transition temperature (Tc) has been the main driving force behind…
Inverse Isotope Effect in the Ternary Perovskite Hydride SrPdH/D: A Signature of Quantum Zero-Point Fluctuations
Wencheng Lu, Mihir Sahoo, Roman Lucrezi +9
Guided by first-principles calculations, we demonstrate superconductivity in the ternary perovskite hydride SrPdH, synthesized at low pressure. Structural characterization…
High-pressure stabilization of Mg2IrH7: Structural proximity to high-Tc superconductivity
Shubham Sinha, Wencheng Lu, Mads F. Hansen +14
MgIrH is a metastable complex metal hydride with a predicted superconducting transition temperature as high as 170 K at ambient pressure. Following the synthesis of isomorp…
First-principles evidence for conventional superconductivity in a quasicrystal approximant
Pedro N. Ferreira, Roman Lucrezi, Sangmin Lee +7
Quasicrystals (QCs) host long-range order without translational symmetry, a regime in which the very foundations of BCS theory are not straightforwardly applicable, yet experiments…
Single layer clathrane: A potential superconducting two-dimensional (2D) hydrogenated metal borocarbide
Xiaoyu Wang, Warren E. Pickett, Matthew N. Julian +2
We propose a new family of two-dimensional (2D) metal-borocarbide clathrane superconductors, derived from three-dimensional (3D) MMBC clathrates. First-principles…
Vacancy-free cubic superconducting NbN enabled by quantum anharmonicity
Eva Kogler, Mihir R. Sahoo, Chia-Nien Tsai +10
Niobium nitride (NbN) is renowned for its exceptional mechanical, electronic, magnetic, and superconducting properties. The ideal 1:1 stoichiometric -NbN cubic phase, however, i…
Prediction and Synthesis of MgPtH: A Metallic Complex Transition Metal Hydride Stabilized at Ambient Pressure
Wencheng Lu, Michael J. Hutcheon, Mads F. Hansen +13
The low-pressure stabilization of superconducting hydrides with high critical temperatures (s) remains a significant challenge, and experimentally verified superconducting hyd…
Creation, stabilization, and study at ambient pressure of pressure-induced superconductivity in BiSbTe
Liangzi Deng, Busheng Wang, Clayton Halbert +13
In light of breakthroughs in superconductivity under high pressure, and considering that record critical temperatures (Ts) across various systems have been achieved under high…
Why MgIrH is predicted to be a high temperature superconductor, but CaIrH is not
Xiaoyu Wang, Warren Pickett, Micheal Hutcheon +2
The XMH family, consisting of an electropositive cation X and a main group metal M octahedrally coordinated by hydrogen, has been predicted to hold promise for high-tempera…
Synthesis of MgIrH: A potential pathway to high- hydride superconductivity at ambient pressure
Mads F. Hansen, Lewis J. Conway, Kapildeb Dolui +7
Following long-standing predictions associated with hydrogen, high-temperature superconductivity has recently been observed in several hydride-based materials. Nevertheless, these…
Computationally efficient method for calculating electron-phonon coupling for high-throughput superconductivity search
Oliver A. Dicks, Kateryna Foyevtsova, Ilya Elfimov +2
Using a computationally inexpensive frozen phonon approach we have developed a technique which can be used to screen large unit cell materials and systems for enhanced superconduct…
Feasible route to high-temperature ambient-pressure hydride superconductivity
Kapildeb Dolui, Lewis J. Conway, Christoph Heil +3
A key challenge in materials discovery is to find high-temperature superconductors. Hydrogen and hydride materials have long been considered promising materials displaying conventi…