633 citations · 3.9k across the 58 of their papers we have counts for
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Exposing nontrivial flat bands and superconducting pairing in infinite-layer nickelates
Ruiqi Zhang, Cheng-Yi Huang, Mehdi Kargarian +5
Flat bands coupled with magnetism and topological orders near or at the Fermi level are well known to drive exotic correlation physics and unconventional superconductivity. Here, b…
Challenges for density functional theory in simulating metal-metal singlet bonding: a case study of dimerized VO2
Yubo Zhang, Da Ke, Junxiong Wu +5
VO2 is renowned for its electric transition from an insulating monoclinic (M1) phase characterized by V-V dimerized structures, to a metallic rutile (R) phase above 340 Kelvin. Thi…
Comparing first-principles density functionals plus corrections for the lattice dynamics of YBaCuO
Jinliang Ning, Christopher Lane, Bernardo Barbiellini +5
The enigmatic mechanism underlying unconventional high-temperature superconductivity, especially the role of lattice dynamics, has remained a subject of debate. Theoretical insight…
Assessing r2SCAN meta-GGA functional for structural parameters, cohesive energy, mechanical modulus and thermophysical properties of 3d, 4d and 5d transition metals
Haoliang Liu, Xue Bai, Jingliang Ning +7
The recent development of the accurate and efficient semilocal density functionals on the third rung of Jacob's ladder of density functional theory such as the revised regularized…
Second Dome of Superconductivity in YBaCuO at High Pressure
Johannes Nokelainen, Matthew E. Matzelle, Christopher Lane +6
Evidence is growing that a second dome of high- superconductivity can be accessed in the cuprates by increasing the doping beyond the first dome. Here we use \emph{ab…
Evidence of Weyl Fermion Enhanced Thermal Conductivity Under Magnetic Fields in Antiferromagnetic Topological Insulator Mn(Bi(1-x)Sb(x))2Te4
Robert A. Robinson, Seng Huat Lee, Lujin Min +3
We report thermal conductivity and Seebeck effect measurements on Mn(Bi1-xSbx)2Te4 (MBST) with x = 0.26 under applied magnetic fields below 50 K. Our data shows clear indications o…