Related Experiment Video
Updated: Jun 4, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
The Cooper-Pair Distribution Function of Untwisted-Misaligned Bilayer Graphene
Jose Alfredo Camargo-Martínez1, Guillermo Iván González-Pedreros2, Fredy Mesa3
1Grupo de Investigación en Ciencias Básicas, Aplicación e Innovación CIBAIN, Unitrópico, Yopal 850002, Colombia.
Abstract:
The Cooper-pair distribution function Dcp(ω,Tc) of Untwisted-Misaligned Bilayer Graphene (UMBLG) in the presence of an external electric field is calculated and analysed within the framework of first-principle calculations. A bilayer graphene structure is proposed using a structural geometric approximation, enabling the simulation of a structure rotated at a small angle, avoiding a supercell calculation. The Dcp(ω,Tc) function of UMBLG indicates the presence of the superconducting state for specific structural configurations, which is consistent with the superconductivity in Twisted Bilayer Graphene (TBLG) reported in the literature. The Dcp(ω,Tc) function of UMBLG suggests that Cooper-pairs are possible in the low-frequency vibration region. Furthermore, the structural geometric approximation allowed the evaluation of the effect of the electric field on the superconducting state of UMBLG and its superconducting critical temperature through the Ncp parameter.
Related Concept Videos
VSEPR Theory and the Effect of Lone Pairs
MO Theory and Covalent Bonding
Spin–Spin Coupling: Two-Bond Coupling (Geminal Coupling)
The central atom need not be NMR-active because its electrons are affected by the electron polarization of the spin-active atoms. However, spin information is transmitted less effectively than in one-bond coupling, and 2J values are usually weaker than 1J values. The energy of...
π Molecular Orbitals of 1,3-Butadiene
The simplest conjugated diene is 1,3-butadiene: a four-carbon system where each carbon is sp2-hybridized and has an unhybridized p orbital that contains an unpaired electron. According to molecular orbital theory, atomic orbitals combine to form molecular orbitals such that the number...
Spin–Spin Coupling Constant: Overview
Qualitatively, any spin plus-half nucleus polarizes the spins of its electrons to the minus-half state. Consequently, the paired electron in the hydrogen–carbon bond must...
¹H NMR: Long-Range Coupling
In alkenes, spin information is communicated via σ–π overlap, as seen in allylic (four-bond) and homoallylic (five-bond) couplings. These coupling interactions are stronger when the σ bond is parallel to the alkene...

