Annual Report for the Year 2021
Our Advanced Study Group (ASG) had an active plan throughout the year 2022, during which its activities followed the approved research plan and timeline. However, we faced a COVID-19 catastrophic situation throughout the whole world. We found a way to collaborate with ASG members and external collaborators. Collaborative efforts during this year were complemented by internet contacts among ASG members and external collaborators. Several interesting studies are ongoing on low-dimensional spin-orbit systems and Hund’s metal physics. We want to further pursue this research line and search for proper candidate materials. We share ideas to establish a new framework in ubiquitous systems. The two most significant scientific topics, in our opinion, are the following:
Collaborative topic:
Hund’s metal physics:
1.Manipulating emergent properties of Hund metal : SrRuO3-SrTiO3 heterostructure
2.Hund's metallicity and van Hove singularity
3.Hundness and Mottness in single layer ruthenates
4.Hidden Hund's physics in the infinite-layer nickelates
Spin-orbit entangled systems, Correlated materials, Topological materials:
1.Dynamical mean-field theory for spin-orbit coupled materials, development and implementation of numerical algorithms for quantum embedding theory
2.Transition metal oxide heterostructures and superlattices, Ferroelectric and multiferroelectric oxides, Optical properties of correlated systems
Offline Activities:
Place & Date: Busan, December 28-29, 2021
Title: Mini-workshop on computational study of correlated materials
Participants: Sooran Kim, Bongjae Kim, Se Young Park, Minjae Kim, Chang-Jong Kang, Heung Sik Kim, Ara Go, Ho Seob Jin, Hee Chul Park
Date: July 15 Thursday 5 pm, 2021
Title: Toward to reliable AI for scientific computing, Hongkee Yoon, KAIST, Korea
Participants: Sooran Kim, Bongjae Kim, Se Young Park, Minjae Kim, Chang-Jong Kang, Heung Sik Kim, Ara Go, Choong Hyun Kim, Hyung Jun Lee, Jae-Ho Han, Hee Chul Park, and PCS members
Date: July 12 Monday, 2021
Title: Joint meeting with ASG "Incommensurately stacked atomic layers"
Participants: Sooran Kim, Bongjae Kim, Se Young Park, Minjae Kim, Chang-Jong Kang, Heung Sik Kim, Ara Go, Choong Hyun Kim, Jae-Ho Han, Hee Chul Park
Online Activities:
Date: October 8 Friday, 2021 (via zoom)
Title: Dichotomy of saddle points in energy bands of monolayer NbSe2
Participants: Sejoong Kim, Sooran Kim, Bongjae Kim, Heung-Sik Kim, Se Young Park, Minjae Kim, Kyoo Kim, Hong Chul Choi, Choong Hyun Kim, Ara Go, Hyung Jun Lee, Chang Jong Kang, Jae-Ho Han
Date: October 8 Friday, 2021 (via zoom)
Title: Diagrammatic Monte Carlo solutions to longstanding problems of strongly correlated fermions
Participants: Aaram Kim, Sooran Kim, Bongjae Kim, Heung-Sik Kim, Se Young Park, Minjae Kim, Choong Hyun Kim, Ara Go, Hong Chul Choi, Chang Jong Kang, Kyoo Kim, Jae-Ho Han, and Hee Chul Park
Date: September 10 Friday, 2021 (via zoom)
Title: Computational study on the materials for rechargeable batteries using first-principles calculation
Participants: Dong-Hwa Seo, Sooran Kim, Bongjae Kim, Heung-Sik Kim, Se Young Park, Choong Hyun Kim, Ara Go, Chang Jong Kang, Jae-Ho Han, and Hee Chul Park
Date: July 30 Friday, 2021 (via zoom)
Title: Magnetic excitation and thermal properties of proximate Kitaev systems under an in-plane magnetic field
Participants: Sooran Kim, Beom Hyun Kim, Bongjae Kim, Heung-Sik Kim, Se Young Park, Minjae Kim, Kyoo Kim, Hong Chul Choi, Choong Hyun Kim, Ara Go, Chang Jong Kang, Jae-Ho Han, and Hee Chul Park
Date: July 7 Wednesday, 2021 (via zoom)
Title: Freestanding crystalline oxide membranes and heterostructures
Participants: Sooran Kim, Seung Sae Hong, Bongjae Kim, Heung-Sik Kim, Se Young Park, Minjae Kim, Kyoo Kim, Hong Chul Choi, Choong Hyun Kim, Ara Go, Chang Jong Kang, Jae-Ho Han, and Hee Chul Park
Date: June 18 Friday, 2021 (via zoom)
Title: DFT+DMFT study of electronic correlation and structural effects in strongly correlated materials
Participants: Sooran Kim, Hyowon Park, Bongjae Kim, Heung-Sik Kim, Se Young Park, Minjae Kim, Kyoo Kim, Hong Chul Choi, Choong Hyun Kim, Ara Go, Chang Jong Kang, Jae-Ho Han, Hee Chul Park
Date: May 21 Friday, 2021 (via zoom)
Title: Kick-off meeting for "ASG: Computational approaches to correlated systems: Applications to diverse materials"
Participants: Sooran Kim, Bongjae Kim, Heung-Sik Kim, Se Young Park, Minjae Kim, Kyoo Kim, Choong Hyun Kim, Ara Go , Jae-Ho Han, and Hee Chul Park
Finally, we would like to note that our work at the PCS would have been significantly less productive without the greatly appreciated support and very efficient assistance from the director of the center, Prof. Sergej Flach, the visitor-program coordinator Dr. Jung-Wan Ryu, his assistants Ms. Jaehee Kwon and Ms. Gileun Lee, as well as all other staff and technical support members.
