Abstract The PyProcar Python package plots the band structure and the Fermi surface as a
function of site and/or s, p, d, f-projected wavefunctions obtained for each k-point in the …

Topological semimetals in crystals with a chiral structure (which possess a handedness due
to a lack of mirror and inversion symmetries) are expected to display numerous exotic …

The search for novel two-dimensional giant Rashba semiconductors is a crucial step in the
development of the forthcoming nanospintronic technology. Using first-principles …

Abstract The MechElastic Python package evaluates the mechanical and elastic properties
of bulk and 2D materials using the elastic coefficient matrix (C ij) obtained from any ab-initio …

Transitions between topologically distinct electronic states have been predicted in different
classes of materials and observed in some. A major goal is the identification of measurable …

Graphene/MoS 2 van der Waals (vdW) heterostructures have promising technological
applications due to their unique properties and functionalities. Many experimental and …

Recently published discoveries of acoustic-and optical-mode inversion in the phonon
spectrum of certain metals became the first realistic example of noninteracting topological …

Spin field-effect transistors (SFETs) based on the Rashba effect could manipulate the spin of
electrons electrically, while seeking desirable Rashba semiconductors with large Rashba …

Using first-principles calculations, we systematically study the elastic stiffness constants,
mechanical properties, elastic wave velocities, Debye temperature, melting temperature …

The Rashba spin–orbit coupling effect, primarily arising from structural-inversion asymmetry
in periodic crystals, has garnered considerable attention due to its tunability and potential …