2 citations · 5 across the 5 of their papers we have counts for
4 papers · 1 filter
Ab initio functional-independent calculations of the clamped Pockels tensor of tetragonal barium titanate
Virginie de Mestral, Lorenzo Bastonero, Michele Kotiuga +3
We present an ab initio method to calculate the clamped Pockels tensor of ferroelectric materials from density-functional theory, the modern theory of polarization exploiting the e…
Analytical Theory of Near-Field Electrostatic Effects in Two-Dimensional Materials and van der Waals Heterojunctions
Qunfei Zhou, Michele Kotiuga, Pierre Darancet
We derive and validate a quantitative analytical model of the near-field electrostatic effects in the vicinity (>=3Å) of two-dimensional (2D) materials. In solving the Poisson equa…
Engineering the Electronic Structure of Two-Dimensional Materials with Near-Field Electrostatic Effects of Self-Assembled Organic Layers
Qunfei Zhou, Bukuru Anaclet, Trevor Steiner +2
We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials ar…
Perovskite Quantum Organismoids
Fan Zuo, Priyadarshini Panda, Michele Kotiuga +14
A central characteristic of living beings is the ability to learn from and respond to their environment leading to habit formation and decision making1-3. This behavior, known as h…