187 citations · 827 across the 28 of their papers we have counts for
16 papers · 1 filter
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…
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…
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…
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…
Spin-Resolved Self-Doping Tunes the Intrinsic Half-Metallicity of AlN Nanoribbons
Alejandro Lopez-Bezanilla, P. Ganesh, Paul R. C. Kent +1
We present a first-principles theoretical study of electric field-and strain-controlled intrinsic half-metallic properties of zigzagged aluminium nitride (AlN) nanoribbons. We show…