413 citations · 683 across the 11 of their papers we have counts for
11 papers
Tuning the electronic and magnetic properties of NiBr via pressure
Soumen Bag, Jesse Kapeghian, Onur Erten +1
Transition metal dihalides (MX, M= transition metal, X= halide) have attracted much attention recently due to their intriguing low-dimensional magnetic properties. Particular f…
Electronic correlations, layer distinction, and electron doping in the alternating single-layer trilayer LaNiO polymorph
Harrison LaBollita, Soumen Bag, Jesse Kapeghian +1
We employ a density-functional theory plus dynamical mean-field theory framework to investigate the correlated electronic structure of the alternating single-layer trilayer (1313)…
Electronic structure and magnetic tendencies of trilayer LaNiO under pressure: structural transition, molecular orbitals, and layer differentiation
Harrison LaBollita, Jesse Kapeghian, Michael R. Norman +1
Motivated by the recent observation of superconductivity in the pressurized trilayer LaNiO Ruddlesden-Popper (RP) nickelate, we explore its structural, electronic, a…
Theory of moiré magnetism in twisted bilayer -RuCl
Muhammad Akram, Jesse Kapeghian, Jyotirish Das +3
Twisted heterostructures of van der Waals materials have received much attention for their many remarkable properties. Here, we present a comprehensive theory of the long-range ord…
Signatures of pressure-enhanced helimagnetic order in van der Waals multiferroic NiI
Connor A. Occhialini, Luiz G. P. Martins, Qian Song +10
The van der Waals (vdW) type-II multiferroic NiI has emerged as a candidate for exploring non-collinear magnetism and magnetoelectric effects in the 2D limit. Frustrated intral…
Effects of Pressure on the Electronic and Magnetic Properties of Bulk NiI
Jesse Kapeghian, Danila Amoroso, Connor A. Occhialini +10
Transition metal dihalides have recently garnered interest in the context of two-dimensional van der Waals magnets as their underlying geometrically frustrated triangular lattice l…
Skyrmion formation in Ni-based Janus dihalide monolayers: Interplay between magnetic frustration and Dzyaloshinskii-Moriya interaction
Taylan Gorkan, Jyotirish Das, Jesse Kapeghian +6
We present a comprehensive theory of the magnetic phases in monolayer nickel-based Janus dihalides (NiIBr, NiICl, NiBrCl) through a combination of first-principles calculations and…
Electronic structure of higher-order Ruddlesden-Popper nickelates
Myung-Chul Jung, Jesse Kapeghian, Chase Hanson +2
We analyze the electronic structure of the recently synthesized higher-order nickelate Ruddlesden-Popper phases LaNiO () using first-principles calculat…
Evidence for a single-layer van der Waals multiferroic
Qian Song, Connor A. Occhialini, Emre Ergeçen +10
Multiferroic materials have garnered wide interest for their exceptional static and dynamical magnetoelectric properties. In particular, type-II multiferroics exhibit an inversion-…
Moiré skyrmions and chiral magnetic phases in twisted CrX (X I, Br, Cl) bilayers
Muhammad Akram, Harrison LaBollita, Dibyendu Dey +3
We present a comprehensive theory of the magnetic phases in twisted bilayer Cr-trihalides through a combination of first-principles calculations and atomistic simulations. We show…
Electronic structure and magnetism in infinite-layer nickelates RNiO (R= La-Lu)
Jesse Kapeghian, Antia S. Botana
Using first-principles calculations, we analyze the evolution of the electronic structure and magnetic properties of infinite-layer nickelates RNiO (R= rare-earth) as R changes…