Fundamental difference in the electronic reconstruction of infinite-layer versus perovskite neodymium nickelate films on ${\mathrm{SrTiO}}_{3}$(001)

Author(s): Benjamin Geisler and Rossitza PentchevaThe discovery of superconductivity in a noncuprate NdNiO2 film on SrTiO3(001) has raised significant interest, though its origin is so far elusive. Since the bulk compound shows no superconductivity, here the authors focus on the role of the film geometry and surface and interface from first principles....

2h

Unit cell restricted Bloch functions basis for first-principle transport models: Theory and application

Author(s): M. G. Pala, P. Giannozzi, and D. EsseniWe present the theory and the application of a first-principle transport model employing a basis set obtained directly from the ab initio Bloch functions. We use a plane-wave density functional theory Hamiltonian and show that a judicious choice of the reduced basis set can effectively suppress the ...[Phys....

2h

Shapes of rotating normal fluid $^{3}\mathrm{He}$ versus superfluid $^{4}\mathrm{He}$ droplets in molecular beams

Author(s): Deepak Verma, Sean M. O. O’Connell, Alexandra J. Feinberg, Swetha Erukala, Rico Mayro P. Tanyag, Charles Bernando, Weiwu Pang, Catherine A. Saladrigas, Benjamin W. Toulson, Mario Borgwardt, Niranjan Shivaram, Ming-Fu Lin, Andre Al Haddad, Wolfgang Jäger, Christoph Bostedt, Peter Walter, Oliver Gessner, and Andrey F. VilesovPrevious single-pulse...

2h

Bardasis-Schrieffer polaritons in excitonic insulators

Author(s): Zhiyuan Sun and Andrew J. MillisBardasis-Schrieffer modes in superconductors are fluctuations in subdominant pairing channels, e.g., d-wave fluctuations in an s-wave superconductor. This Rapid Communication shows that these modes also generically occur in excitonic insulators. In s-wave excitonic insulators, a p-wave Bardasis-Schr...[Phys....

7h

Gate-tunable topological flat bands in twisted monolayer-bilayer graphene

Author(s): Youngju Park, Bheema Lingam Chittari, and Jeil JungWe investigate the band structure of twisted monolayer-bilayer graphene (tMBG) trilayers, or twisted graphene on bilayer graphene, as a function of twist angles and perpendicular electric fields in search of optimal conditions for achieving isolated nearly flat bands. Narrow bandwidths comparable...

7h

Close inspection of plasmon excitations in cuprate superconductors

Author(s): Andrés Greco, Hiroyuki Yamase, and Matías BejasRecently resonant inelastic x-ray scattering experiments reported fine details of the charge excitations around the in-plane momentum q∥=(0,0) for various doping rates in electron-doped cuprates La2−xCexCuO4. We find that those new experimental data are well captured by acousticlike plasmon excitati...[Phys....

7h

Symmetry-breaking polymorphous descriptions for correlated materials without interelectronic <i>U</i>

Author(s): Yubo Zhang, James Furness, Ruiqi Zhang, Zhi Wang, Alex Zunger, and Jianwei Sun Correlated materials with open-shell d and f ions having degenerate band-edge states show a rich variety of interesting properties ranging from metal-insulator transition to unconventional superconductivity. The textbook view for the electronic structure of these...

7h

Disordered Haldane-Shastry model

Author(s): Shriya Pai, N. S. Srivatsa, and Anne E. B. NielsenThe Haldane-Shastry model is one of the most studied interacting spin systems. The Yangian symmetry makes it exactly solvable, and the model has semionic excitations. We introduce disorder into the Haldane-Shastry model by allowing the spins to sit at random positions on the unit circle and...

7h

Quantum spin Hall effect in monolayer and bilayer ${\mathrm{TaIrTe}}_{4}$

Author(s): Peng-Jie Guo, Xiao-Qin Lu, Wei Ji, Kai Liu, and Zhong-Yi LuGenerally, stacking two quantum spin Hall insulators gives rise to a trivial insulator. Here, based on first-principles electronic structure calculations, we confirm that monolayer TaIrTe4 is a quantum spin Hall insulator and remarkably find that bilayer TaIrTe4 is still a quantum...

7h

Polarity-induced electronic and atomic reconstruction at ${\mathrm{NdNiO}}_{2}/{\mathrm{SrTiO}}_{3}$ interfaces

Author(s): Ri He, Peiheng Jiang, Yi Lu, Yidao Song, Mingxing Chen, Mingliang Jin, Lingling Shui, and Zhicheng ZhongSuperconductivity has recently been observed in Sr-doped NdNiO2 films grown on SrTiO3. Whether it is caused by or related to the interface remains an open question. To address this issue, we use density-functional theory calculation and...

7h