4 papers
Pair anisotropy in disordered magnetic systems
K. Das, N. Gonzalez Szwacki, K. Gas +3
Accurate modelling of magnetism is pivotal for elucidating the microscopic origins of magnetic phenomena in functional materials. However, for a specified class of materials, such…
Coordination-Driven Classification and Energetic Scaling of Boron Fullerenes and Borophene
Nevill Gonzalez Szwacki
We present a comprehensive first-principles investigation of boron fullerenes and two-dimensional boron sheets, unified under a coordination-based framework. By classifying over a…
Electronic and Vibrational Properties of Layered Boron Nitride Polymorphs
Priyanka Mishra, Nevill Gonzalez Szwacki
We present a comprehensive first-principles investigation of the structural, electronic, and vibrational properties of four layered boron nitride (BN) polymorphs--AA-stacked (-B…
Unrevealing the structure and properties of {}-sheet-based bilayer borophenes
Subrata Rakshit, Nevill Gonzalez Szwacki
Recent experimental realizations of bilayer boron materials motivated us to study the structure and properties of -sheet-based bilayer borophenes with interlayer covalent bonds…