71 citations · 348 across the 11 of their papers we have counts for
9 papers · 1 filter
Magnetic ground state and electron doping tuning of Curie temperature in FeGeTe: first-principles studies
Zhen-Xiong Shen, Xiangyan Bo, Kun Cao +2
Intrinsic magnetic van der Waals (vdW) materials have attracted much attention, especially FeGeTe (FGT), which exhibits highly tunable properties. However, despite vast…
Ab initio calculation of spin fluctuation spectra using time dependent density functional perturbation theory, planewaves, and pseudopotentials
Kun Cao, Henry Lambert, Paolo G. Radaelli +1
We present an implementation of time-dependent density functional perturbation theory for spin fluctuations, based on planewaves and pseudopotentials. We compute the dynamic spin s…
First-principles study of structurally modulated multiferroic CaMnO
Kun Cao, Roger D. Johnson, Natasha Perks +2
We study the electronic and magnetic structures of multiferroic CaMnO by first-principle calculations, based on the experimentally determined modulated crystal structure…
First-principles study of multiferroic RbFe(MoO)
Kun Cao, R. D. Johnson, Feliciano Giustino +3
We have investigated the magnetic structure and ferroelectricity in RbFe(MoO) via first-principles calculations. Phenomenological analyses have shown that ferroelectricity…
Origin of ferroelectricity in high- magnetic ferroelectric CuO
Guangxi Jin, Kun Cao, Guang-Can Guo +1
Cupric oxide is a unique magnetic ferroelectric material with a transition temperature significantly higher than the boiling point of liquid nitrogen. However, the mechanism of hig…
Molecular-spin dynamics study of electromagnons in multiferroic RMnO
Kun Cao, Guang-Can Guo, Lixin He
We investigate the electromagnon in magnetoferroelectrics RMnO using combined molecular-spin dynamics simulations. We identify the origin of the electromagnon modes observe…