▪ 연구실 소개: 응집물질 이론 연구실 (윤영귀 교수님)

· ​홈페이지: Google Scholar

· 구성원: 정인기 (석박통합과정), 학부 연구생과 대학원생 모집 중

▪ 연구방법

We study physical properties of condensed matter through first-principles electronic structure calculations. The Schrödinger equation for the electrons in a system is solved with no empirical assumptions except that the exchange-correlation energy is approximated within density functional theory. Total energy, electronic structure, and electronic wavefunctions are obtained from the calculations and the structural, electronic, optical, and magnetic properties can be investigated. Calculation of the energy band and energy band gap of a semiconductor such as Si is a representative example. Boltzmann transport theory is employed to further analyze transport properties. Molecular dynamics simulations are also useful to study dynamical properties of condensed matter. We recently have studied 2D materials, heterostructures, surfaces, and interfaces. We are also interested in applying machine learning to electronic structure theory.

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 · Density Functional Theory (제일원리 전자구조 계산)​

 · Modlecular Dynamics (분자동역학)

 · 슈퍼컴퓨터 이용 (KISTI)

▪ 최근 연구 주제/성과/수행과제

· Coexistence of random singlets and disordered Kitaev spin liquid in H3LiIr2O6 (PHYSICAL REVIEW B, 2023)

· Intrinsic Seebeck coefficients of 2D polycrystalline PtSe2 semiconducting films through two-step annealing (JOURNAL OF MATERIALS CHEMISTRY A, 2023)

· Enhanced Transverse Seebeck Coefficients in 2D/2D PtSe2/MoS2 Heterostructures Using Wet-Transfer Stacking (ACS APPLIED MATERIALS & INTERFACES, 2022)

· Abnormal Seebeck Effect in Vertically Stacked 2D/2D PtSe2/PtSe2 Homostructure (ADVANCED SCIENCE, 2022)

· Observation of a Strong Decoupling Phenomenon in Pt/Si Hybrid Structures for In-Plane Thermoelectric Properties (JOURNAL OF PHYSICAL CHEMISTRY C, 2022)

· Raman imaging of strained bubbles and their effects on charge doping in monolayer WS2 encapsulated with hexagonal BN (APPLIED SURFACE SCIENCE, 2022)

· Interface-Induced Seebeck Effect in PtSe2/PtSe2 van der Waals Homostructures (ACS NANO, 2022)

· Diffusion-enhanced preferential growth of m-oriented GaN micro-domains on directly grown graphene with a large domain size on Ti/SiO2/Si(001) (MATERIALS TODAY COMMUNICATIONS, 2022)

· Unveiling the origin of two distinct routes of interlayer charge transfer doping in Bi2Te3/MoS2/SiO2 heterostructure (APPLIED SURFACE SCIENCE, 2022)​ 

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