187 citations · 827 across the 28 of their papers we have counts for
29 papers
Disorder signatures in coherent electronic waveguides
Alejandro Lopez-Bezanilla
Microscopic disorder in a coherent conductor is encoded in the magnitude of the transmitted current and in the energy- and channel-resolved structure of the scattering response. We…
Moire Control of Alterelectric Quadrupolar Order
Alejandro Lopez-Bezanilla
Alterelectricity is a compensated ferroic state in which quadrupolar electronic order reshapes low-energy electronic structure without producing a net polarization. Here we show th…
Identifying quantum coherence in quantum annealers
Connor Aronoff, Travis Howard, David Nicholaeff +2
Demonstrating genuine many-body quantum coherence in large-scale quantum processors remains a central challenge for near-term quantum technologies. Recent experiments on D-Wave qua…
Programmable Exploration of Magnetic States in Lieb-Kagome Interpolated Lattices
Alejandro Lopez-Bezanilla, Pavel A. Dub, Avadh Saxena
We investigate a hybrid modeling framework in which a quantum annealer is used to simulate magnetic interactions in molecular qubit lattices inspired by experimentally realizable s…
Observation of Magnetic Devil's Staircase-Like Behavior in Quasiperiodic Qubit Lattices
Alejandro Lopez-Bezanilla
The devil's staircase (DS) phenomenon is a fractal response of magnetization to external fields, traditionally observed in periodic ferromagnetic systems, where the commensurabilit…
Quantum dynamics in frustrated Ising fullerenes
Alejandro Lopez-Bezanilla, William Bernoudy, Kelly Boothby +3
The complex energy landscapes exhibited by frustrated magnetic systems undergoing quantum fluctuations are a challenge to accurately simulate, and thus of great interest for testin…
Kagome qubit ice
Alejandro Lopez-Bezanilla, Jack Raymond, Kelly Boothby +3
Topological phases of spin liquids with constrained disorder can host a kinetics of fractionalized excitations. However, spin-liquid phases with distinct kinetic regimes have prove…
Design Principles and Physical Properties of Two-Dimensional Heterostructured Borides
Alejandro Lopez-Bezanilla
Principles of design to create dynamically stable transition metal, lanthanide, and actinide based low-dimensional borides are presented. A charge transfer analysis of donor metal…
Semi-metallicity and electron-hole liquid in two-dimensional C and BN based compounds
Alejandro Lopez-Bezanilla, Peter B. Littlewood
Insulating-metallic transition mediated by substitutional atoms is predicted in a series of two-dimensional carbon-based structures. Introducing Si atoms in selected sites of tetra…
QUBO-based density matrix electronic structure method
Christian F. A. Negre, Alejandro Lopez-Bezanilla, Yu Zhang +4
Density matrix electronic structure theory is used in many quantum chemistry methods to "alleviate" the computational cost that arises from directly using wave functions. Although…
Exploring Metastable States in UO using Hybrid Functionals and Dynamical Mean Field Theory
Laura E. Ratcliff, Luigi Genovese, Hyowon Park +2
A detailed exploration of the -atomic orbital occupancy space for UO is performed using a first principles approach based on density functional theory (DFT), employing a ful…
Qubit spin ice
Andrew D. King, Cristiano Nisoli, Edward D. Dahl +2
Artificial spin ices are frustrated spin systems that can be engineered, wherein fine tuning of geometry and topology has allowed the design and characterization of exotic emergent…
Electrical band flattening, valley flux, and superconductivity in twisted trilayer graphene
Alejandro Lopez-Bezanilla, J. L. Lado
Twisted graphene multilayers have demonstrated to yield a versatile playground to engineer controllable electronic states. Here, by combining first-principles calculations and low-…
Defect-induced magnetism and Yu-Shiba-Rusinov states in twisted bilayer graphene
Alejandro Lopez-Bezanilla, Jose L. Lado
Atomic defects have a significant impact in the low-energy properties of graphene systems. By means of first-principles calculations and tight-binding models we provide evidence th…
Emergence of Flat-Band Magnetism and Half-Metallicity in Twisted Bilayer Graphene
Alejandro Lopez-Bezanilla
Evidence of flat-band magnetism and half-metallicity in compressed twisted bilayer graphene is provided with first-principles calculations. We show that dynamic band-structure engi…
Interplay between p- and d- orbitals yields multiple Dirac states in one- and two-dimensional CrB4
Alejandro Lopez-Bezanilla
Theoretical evidence of the existence of six inequivalent and six threefold degenerate pairs of Dirac cones in the low-spectrum diagram of monolayered hexagonal CrB4 is provided. T…
Twelve Inequivalent Dirac Cones in Two-Dimensional ZrB2
Alejandro Lopez-Bezanilla
Theoretical evidence of the existence of 12 inequivalent Dirac cones at the vicinity of the Fermi energy in monolayered ZrB is presented. Two-dimensional ZrB is a mechanica…
Zirconia and hafnia polymorphs -- ground state structural properties from diffusion Monte Carlo
Hyeondeok Shin, Anouar Benali, Ye Luo +5
Zirconia (zirconium dioxide) and hafnia (hafnium dioxide) are binary oxides used in a range of applications. Because zirconium and hafnium are chemically equivalent, they have thre…
Charge transfer and metallicity in LaNiO/LaMnO superlattices
Alejandro Lopez-Bezanilla, Louis-François Arsenault, Anand Bhattacharya +2
Motivated by recent experiments, we use the extension of the generalized gradient approximation to density functional theory to study superlattices composed of alternating lay…
Electronic properties of 8-Pmmn borophene
Alejandro Lopez-Bezanilla, Peter B. Littlewood
First-principles calculations on monolayer 8-{\it Pmmn} borophene are reported to reveal unprecedented electronic properties in a two-dimensional material. Based on a Born effectiv…
Electronic Transport Properties of Chemically Modified Double-Walled Carbon Nanotubes
Alejandro Lopez-Bezanilla
We present a study on the quantum transport properties of chemically functionalized metallic double-walled carbon nanotubes (DWNTs) with lengths reaching the micrometer scale. Firs…
Electronic and Quantum Transport Properties of Substitutionally Doped Double-Walled Carbon Nanotubes
Alejandro Lopez-Bezanilla
A first-principles investigation of the electronic and quantum transport properties of double-walled carbon nanotubes doped with nitrogen and boron atoms is presented. Concentric n…
Effect of atomic-scale defects and dopants on phosphorene electronic structure and quantum transport properties
Alejandro Lopez-Bezanilla
By means of a multi-scale first-principles approach, a description of the local electronic structure of two-dimensional and narrow phosphorene sheets with various types of modifica…
Magnetism and metal-insulator transition in oxygen deficient SrTiO
Alejandro Lopez-Bezanilla, P. Ganesh, Peter B. Littlewood
First-principles calculations to study the electronic and magnetic properties of bulk, oxygen-deficient SrTiO (STO) under different doping conditions and densities have been co…