10 citations · 10 across the 2 of their papers we have counts for
3 papers
physics.comp-ph2023
RASCBEC: RAman Spectroscopy Calculation via Born Effective Charge
Rui Zhang, Jun Jiang, Alec Mishkin +2
We advance the algorithm for ab initio calculations of Raman spectra for large systems via applying external electric field, and complement it by a code implementation we name RASC…
cond-mat.mes-hall2022★ 10 cited
Thickness-dependent spin bistable transitions in single-crystalline molecular 2D material
John Koptur-Palenchar, Miguel Gakiya-Teruya, Duy Le +7
The advent of two-dimensional (2D) crystals has led to numerous scientific breakthroughs. Conventional 2D systems have in-plane covalent bonds and a weak out-of-plane van-der-Waals…
cond-mat.mtrl-sci2019
Three Jahn-Teller states of matter in the spin-crossover system Mn(taa)
Jie-Xiang Yu, Dian-Teng Chen, Jie Gu +7
Three high-spin phases recently discovered in the spin-crossover system Mn(taa) are identified through analysis by a combination of first-principles calculations and Monte Carlo si…