HZ
HA

Atomistic prediction on the configuration- and temperature-dependent dielectric constant of Be0.25Mg0.75O superlattice as a high-κ dielectric layer

Gyuseung Han1,2, In Won Yeu1, Kun Hee Ye1,2, Seung-Cheol Lee3, Cheol Seong Hwang*,2, and Jung-Hae Choi*,1

1Center for Electronic Materials, Korea Institute of Science and Technology, Seoul 02792, Korea
2Department of Materials Science and Engineering and Inter-University Semiconductor Research Center, Seoul National University, Seoul 08826, Korea
3Indo-Korea Science and Technology Center, Bengaluru, 560065, India

Figure S4

Animations for atomic motions in phonon modes with imaginary frequency at Γ point of HZ and HA.

Be (+z)
Be
Be (-z)
Mg
O

Top view

Side view

frequency : 4.506i THz
frequency : 3.725i THz
frequency : 3.252i THz
frequency : 3.252i THz
frequency : 3.252i THz
frequency : 3.252i THz