Book Chapters

• Alexander A. Demkov, Kurt Fredrickson, Hosung Seo, and Andrew O’Hara, First-principles modeling of interface effects in oxides. In: Handbook of Materials Modeling, 2nd edition, Edited by Wanda Andreoni and Sidney Yip (Springer, 2019).

Journal Publications

Full publications list is also available at the Google scholar page of H. Seo.

2023

• First-principles theory of quantum spin decoherence in transition metal dichalcogenides

Taejoon Park, Huijin Park, Jaewook Lee, and Hosung Seo

In preparation (2023).

• Elucidating atomistic mechanisms of the formation of phase-controlled ultrathin MoTe2 films and lateral hetero-phase MoTe2 interfaces

Hyeonkyeong Kim, Jooyong Bhang, Taejoon Park, Jae-Hyun Lee, Hosung Seo* and Youngdong Yoo*

Surfaces and Interfaces 40, 103040 (2023) [Link]

§*Co-corresponding

2022

• First-principles theory of extending the spin qubit coherence time in hexagonal boron nitride

Jaewook Lee, Huijin Park, and Hosung Seo

npj 2D Materials and Applications 6, 60 (2022). [Link]

• Decoherence of nitrogen-vacancy spin ensembles in a nitrogen electron-nuclear spin bath in diamond

Huijin Park†, Junghyun Lee†, Sangwook Han, Sangwon Oh*, and Hosung Seo*

npj Quantum Information 8, 95 (2022). [Link]

§ †Co-first, *Co-corresponding

• Electrical charge control of h-BN single-photon sources

Mihyang Yu, Donggyu Yim, Hosung Seo, and Jieun Lee

2D Materials 9, 035020 (2022) [Link]; arXiv:2202.09037 [Link]

• Generalized scaling of spin qubit coherence in over 12,000 host materials

Shun Kanai, F. Joseph Heremans, Hosung Seo, Gary Wolfowicz, Christopher P. Anderson, Sean E. Sullivan, Mykyta Onizhuk, Giulia Galli, David D. Awschalom, Hideo Ohno

PNAS 119 (15), e2121808119 (2022) [Link]; arXiv: 2102.02986  [Link]

*Joint study by a team, comprising the scientists at the Argonne National Lab, University of Chicago, Tohoku University, and Ajou University.

*Highlighted by the Argonne National Laboratory as a Feature Story.

*Highlighted by the University of Chicago PME as News.

2021

• First-principles predictions of out-of-plane group-IV and V dimers as high-symmetry high-spin defects in hexagonal boron nitride

Jooyong Bhang, He Ma, Donggyu Yim, Giulia Galli, and Hosung Seo

ACS Applied Materials & Interfaces 13, 45768−45777 (2021). [Link]; arXiv:2109.03406 [Link]

• Quantum guidelines for solid-state spin defects

Gary Wolfowicz, F. Joseph Heremans, Christopher P. Anderson, Shun Kanai, Hosung Seo, Adam Gali, Giulia Galli, David D. Awschalom

Nature Reviews Materials 6, 906-925 (2021). [Link]; arXiv:2010.16359 [Link]

*Featured on the cover of the qubits focus issue [Link]

*Editorial: “Qubits meet materials science”, Nature Review Materials 6, 869 (2021). 

*Highlighted by the Argonne National Laboratory as a Feature Story.

*Highlighted by the University of Chicago PME as News.

2020

• Polarization and localization of single-photon emitters in hexagonal boron nitride wrinkles

Donggyu Yim , Mihyang Yu, Gichang Noh, Jieun Lee*, and Hosung Seo*

ACS Applied Materials & Interfaces 12, 36362 (2020). [Link]

§*Co-corresponding

2019

• Spin coherence in two-dimensional materials

Meng Ye, Hosung Seo, and Giulia Galli

npj Computational Materials 5, 44 (2019). [Link (*open access)]

2018

• The role of point defects in enhancing the conductivity of BiVO4

Hosung Seo*, Yuan Ping*, and Giulia Galli

Chemistry of Materials 30 (21), 7793-7802 (2018). [Link]

§*Co-first

• Stark tuning of single photon emitters in hexagonal boron nitride

Gichang Noh, Daebok Choi, Jin-hun Kim, Dong-gil Im, Yoon-ho Kim, Hosung Seo*, and Jieun Lee

Nano Letters 18, 4710 (2018). [Link]

§ *Primary theoretical author

2017

• Designing defect-based qubit candidates in wide-gap binary semiconductors for solid-state quantum technologies

Hosung Seo, He Ma, Marco Govoni, and Giulia Galli

Physical Review Materials 1, 075002 (2017). [Link] [arXiv:1709.09818]

2016

• Quantum decoherence dynamics of divacancy spins in silicon carbide

Hosung Seo, Abram L. Falk, Paul V. Klimov, Kevin C. Miao, Giulia Galli, and David D. Awschalom

Nature Communications 7, 12935 (2016). [Link (*open access)][arXiv:1606.03354]

*Highlighted by the University of Chicago: Exceptionally robust quantum states found in industrially important semiconductor

*Highlighted by the Research Computing Center of the University of Chicago: The Sweet Spot

*Highlighted by the US Department of Energy: Supercomputers for Quantum Computers

• Mechanism of oxidation protection of the Si(001) surface by sub-monolayer Sr template

Kurt D. Fredrickson, Hosung Seo, and Alexander A. Demkov

Journal of Applied Physics 120, 065301 (2016). [Link]

• Design of defect spins in piezoelectric aluminum nitride for solid-state hybrid quantum technologies

Hosung Seo, Marco Govoni and Giulia Galli

Scientific Reports 6, 20803 (2016). [Link (*open access)] [arXiv:1602.01079]

*Highlighted by the University of Chicago RCC: University of Chicago RCC Highlight: From the Bottom Up

*Highlighted by the Lawrence Berkeley National Laboratory: Could Aluminum Nitride Produce Quantum Bits?

Also appeared at the UChicago news, the UChicago IME news, Sciencedaily, Science Bulletin, and Phys.org.

*Highlighted by the US Department of Energy: Supercomputers for Quantum Computers

2015

• Early stages of the Schottky barrier formation in sub-monolayer Pt on SrTiO3 (001)

Hosung Seo and Alexander A. Demkov

Physical Review B 92, 245301 (2015) (6 pages). [Link]

• Designing defect spins for wafer-scale quantum technologies

Willam F. Koehl, *Hosung Seo, Giulia Galli and David D. Awschalom

MRS Bulletin 40, 1146 (2015) (8 pages) [Link]

*A special 40th anniversary issue on Materials & Engineering: Propelling Innovation

*Highlighted by the University of Chicago IME: MRS Bulletin Special Issue

§ *Primary theoretical author

2014

• Band alignment in visible-light photo-active CoO/SrTiO3 (001) heterostructures

Hosung Seo and Alexander A. Demkov

Journal of Applied Physics 116, 245305 (2014) (11 pages). [Link]

• Critical differences in the surface electronic structure of Ge(001) and Si(001): Ab initio theory and angle-resolved photoemission spectroscopy

Hosung Seo, Richard C. Hatch, Patrick Ponath, Miri Choi, Agham B. Posadas, and Alexander A. Demkov

Physical Review B 89, 115318 (2014). [Link]

2013

• Surface electronic structure for various surface preparations of Nb-doped SrTiO3 (001)

Richard C. Hatch, Kurt D. Fredrickson, Miri Choi, Chungwei Lin, Hosung Seo, Agham B. Posadas, and Alexander A. Demkov

Journal of Applied Physics 114, 103710 (2013) (11 pages).

• Atomic Layer Deposition of Epitaxial Photoactive CoO, CoO/SrTiO3, and CoO/TiO2 on Si (001) for Water Splitting in Visible Light

Thong Q. Ngo, Agham B. Posadas, Hosung Seo*, Son T. Hoang, Martin D. McDaniel, Dirk Utess, Dina Triyoso, Alexander A. Demkov, and John G. Ekerdt

Journal of Applied Physics 114, 084901 (2013) (8 pages). 

§ *Primary theoretical author

• Combined in-situ photoemission experiment and density functional theory for the Sr Zintl template for oxide heteroepitaxy on Si(001)

Hosung Seo, Miri Choi, Agham B. Posadas, Richard C. Hatch, and Alexander A. Demkov

Journal of Vacuum Science & Technology B 31, 04D107 (2013) (8 pages).

• (Invited) Monolithic integration of oxides on semiconductors

Alexander A. Demkov, Agham B. Posadas, Hosung Seo, Miri Choi, Kristy J. Kormondy, Patrick Ponath, Richard C. Hatch, Martin. D. McDaniel, Thong Ngo and John G. Ekerdt

ECS Transactions, 54 (1), 255 (2013) (15 pages).

• Charge transfer in Sr Zintl templates for epitaxial oxide growth on Si(001)

Miri Choi, Agham B. Posadas, Hosung Seo*, Richard C. Hatch, and Alexander A. Demkov

Applied Physics Letter 102, 031604 (2013) (4 pages). 

§ *Primary theoretical author

2012

• Band alignment and electronic structure of the anatase TiO2/SrTiO3 (100) heterostructure integrated on Si(100)

Hosung Seo, Agham B. Posadas, Chandrima Mitra, Alexander V. Kvit, Jamal Ramdani, and Alexander A. Demkov

Physical Review B 86, 075301 (2012) (9 pages).

• Strain-induced spin state transition and superexchange in LaCoO3

Hosung Seo, Agham B. Posadas and Alexander A. Demkov

Physical Review B 86, 014430 (2012) (9 pages).

• First-principles study of the growth thermodynamics of Pt on SrTiO3 (001)

Hosung Seo, Agham B. Posadas and Alexander A. Demkov

Journal of Vacuum Science & Technology B 30, 04E108 (2012) (4 pages).

• Using Zintl-Klemm intermetallics in oxide-semiconductor heteroepitaxy

Alexander A. Demkov, Hosung Seo, Xiaodong Zhang, and Jamal Ramdani

Applied Physics Letter 100, 071602 (2012) (4 pages).

2011

• First-principles study of polar LaAlO3 (001) surface stabilization by point defects

Hosung Seo and Alexander A. Demkov

Physical Review B 84, 045440 (2011) (9 pages).

• (Invited) Properties of oxides heterostructures

Alexander A. Demkov, Agham B. Posadas, Hosung Seo and Jeakwang Lee

ECS Transactions, 41, 275 (2011) (8 pages).

• Emerging physics of oxide heterostructures

Alexander A. Demkov, Agham B. Posadas, Hosung Seo, Jaekwang Lee, and Na Sai

Physica Status Solidi (b) 248, 2076 (2011) (6 pages).

• Strain-induced ferromagnetism in LaCoO3: Theory and growth on Si (100)

A. Posadas, M. Berg, Hosung Seo*, D. J. Smith, A. P. Kirk, D. Zhernokletov, R. M. Wallace, A. de Lozanne, A. A. Demkov

Microelectric Engineering 88, 1444 (2011) (4 pages). 

§ *Primary theoretical author

• Epitaxial integration of ferromagnetic correlated oxide LaCoO3 with Si(100)

A. Posadas, M. Berg, Hosung Seo*, A. de Lozanne, A. A. Demkov, D. J. Smith, A. P. Kirk, D. Zhernokletov, and R. M. Wallace

Applied Physics Letter 98, 053104 (2011) (3 pages).

§ *Primary theoretical author

2008

• InP-based quantum-dot infrared photodetectors with high quantum efficiency and high-temperature imaging

Stanley Tsao, Hochul Lim, Hosung Seo, Wei Zhang and Manijeh Razeghi

IEEE Sensors Journal 8, 936 (2008) (6 pages).