*corresponding author

Paper (SCI/SCIE)

Jun Young Lee, Hyung-Jin Choi, Kun Hee Ye, Haneul Choi, Byeong-hyeon Lee, Min-Seok Kim, Dong-Hun Han, June Hyuk Lee, Sung Ok Won, Tae Heon Kim*, Hye Jung Chang*, Jung-Hae Choi*, Seung-Hyub Baek*, "Engineering of Crystal and Domain Structures in Epitaxial Y:HfO2 Thin Films by YSZ Substrate Miscut," Under review.

Eun Young Kim, Juseong Park, Sumin Ju, Taeyoung Jeong, Dohyun Kim, Woojoon Park, Myeongchan Ko, Woon Hyung Cheong, Jung-Hae Choi*, and Kyung Min Kim*, "Memristive Baffle Systems: Design, Simulation, and Applications," Under review.

Wonho Choi, Byongwoo Park, Seungjae Yoon, Jeong Woo Jeon, Gwangsik Jeon, Sangmin Jeon, Sungjin Kim, Yoon Ho Jang, Joon-Kyu Han, Jung-Hae Choi, Chanyoung Yoo, and Cheol Seong Hwang, "P-type tellurium thin film transistor with sacrificial atomic layer deposition," Under review.

106. Taeyoung Jeong, Kun Hee Ye, Seungjae Yoon, Dohyun Kim, Yunjae Kim, and Cheol Seong Hwang and Jung-Hae Choi*, "VacHopPy: A Python package for vacancy hopping analysis based on molecular dynamics simulations," Comput. Phys. Commun., 30, 110010 (2026). (https://doi.org/10.1016/j.cpc.2025.110010) (code) (github)

105. Heewon Paik, Dohyun Kim, Junil Lim, Haengha Seo, Tae Kyun Kim, Jong Hoon Shin, Haewon Song, Hansub Yoon, Dae Seon Kwon, Dong Gun Kim, Jung-Hae Choi and Cheol Seong Hwang, "The leakage current suppression mechanism in a RuO2/SrTiO3/Ru capacitor induced by introduction of an ultra-thin GeO2 interfacial layer at the bottom interface," J. Mater. Chem. C, 13, 21347 (2025).  (https://doi.org/10.1039/D5TC02736E)

104. Kyung Do Kim, Seung Kyu Ryoo, Min Kyu Yeom, Suk Hyun Lee, Wonho Choi, Yunjae Kim, Jung-Hae Choi, Tianjiao Xin, Yan Cheng, and Cheol Seong Hwang, "Decoupling Polarization and Coercive Field in AlScN/AlN/AlScN Stack for Enhanced Performance in Ferroelectric Thin-Film Transistors", Nat. Commun., 16, 7425 (2025).  (https://doi.org/10.1038/s41467-025-62904-6)

103. Dohyun Kim, Kun Hee Ye, Taeyoung Jeong, Seungjae Yoon, Yunjae Kim, Cheol Seong Hwang*, and Jung-Hae Choi*, "Polytype Family Representations of Octahedrally Coordinated Adaptive Structures in Ta2O5: Energetic and Dynamic Stabilities from First Principles," Phys. Chem. Chem. Phys., 27, 14082 (2025). (https://doi.org/10.1039/D5CP01821H) Gold Open Access.

102. Hyun Woo Nam, Jae Hoon Lee, Seung Kyu Ryoo, Seong Jae Shin, Kun Hee Ye, Kyung Do Kim, Seung Ryong Byun, In Soo Lee, Suk Hyun Lee, Jae Hee Song, Jung-Hae Choi, Cheol Seong Hwang, "Improving the memory window of ferroelectric thin film transistor using atomic layer deposited HfNx interfacial layer", J. Mater. Chem. C, 13, 9705 (2025). (https://doi.org/10.1039/D5TC00453E)

101. Kun Hee Ye, Taeyoung Jeong, Seungjae Yoon, Dohyun Kim, Yunjae Kim, Cheol Seong Hwang*, and Jung-Hae Choi*, "Ab initio Study on 3D Anisotropic Ferroelectric Switching Mechanism and Coercive Field in HfO2 and ZrO2",  Adv. Funct. Mater., 2500390 (2025). (https://doi.org/10.1002/adfm.202500390) Open Access.

100. Kun Hee Ye, Taeyoung Jeong, Seungjae Yoon, Dohyun Kim, Cheol Seong Hwang*, and Jung-Hae Choi*, "Theoretical Understanding of the In-plane Tensile Strain Effects on Enhancing the Ferroelectric Performance of Hf0.5Zr0.5O2 and ZrO2 Thin Films," Nanoscale, 17, 540 (2025). (https://doi.org/10.1039/D4NR03333G)

99. Jonghoon Shin, Dong Hoon Shin, Kyung Do Kim, Haengha Seo, Kun Hee Ye, Jeong Woo Jeon, Tae Kyun Kim, Heewon Paik, Haewon Song, Suk Hyun Lee, Jung-Hae Choi, and Cheol Seong Hwang, "Reversible Modulation of Critical Electric Fields for Field-Induced Ferroelectric Effect with Field-Cycling in ZrO2 Thin Films," J. Mater. Chem. C, 12, 15423 (2024). (https://doi.org/10.1039/D4TC03024A)

98. Kyung Seok Woo, Hyungjun Park, Nestor Ghenzi, A. Alec Talin, Taeyoung Jeong, Jung-Hae Choi, Sangheon Oh, Yoon Ho Jang, Janguk Han, R. Stanley Williams, Suhas Kumar, and Cheol Seong Hwang, "Memristors with Tunable Volatility for Reconfigurable Neuromorphic Computing," ACS Nano, 18, 17007 (2024). (https://doi.org/10.1021/acsnano.4c03238)

97. JongHoon Shin, Haengha Seo, Kun Hee Ye, Yoon Ho Jang, Dae Seon Kwon, Junil Lim, Tae Kyun Kim, Heewon Paik, Haewon Song, Ha Ni Kim, Seung yong Byun, Seong Jae Shin, Kyung Do Kim, Yong Bin Lee, In Soo Lee, Jung-Hae Choi, and Cheol Seong Hwang, "Understanding Phase Evolution of Ferroelectric Hf0.5Zr0.5O2 Thin Films with Al2O3 and Y2O3 Inserted Layers," J. Mater. Chem. C. 12, 5035 (2024). (https://doi.org/10.1039/D4TC00061G) Gold Open Access. 

96. Taeyoung Jeong, In Won Yeu, Kun Hee Ye, Seungjae Yoon, Dohyun Kim, Cheol Seong Hwang*, and Jung-Hae Choi*, "Study of Charge Transition-Driven Resistive Switching Mechanism in TiO2-based Random Access Memory via Density Functional Theory," Nanoscale, 16, 6949 (2024). (https://doi.org/10.1039/D3NR06614B) Outside Front Cover Image of Vol. 16, Issue 14. Gold Open Access.

95. Kun Hee Ye, In Won Yeu, Gyuseung Han, Taeyoung Jeong, Seungjae Yoon, Dohyun Kim, Cheol Seong Hwang*, and Jung-Hae Choi*, "Comprehensive Interpretations of Thermodynamic and Kinetic Effects on the Phase Fractions in Hf1-xZrxO2 by First Principle Calculations," Appl. Phys. Rev. 10, 031419 (2023). (https://doi.org/10.1063/5.0160719). Featured Article.

94. Junil Lim, Kun Hee Ye, Dae Seon Kwon, Haengha Seo, Tae Kyun Kim, Heewon Paik, Jong Hoon Shin, Haewon Song, Yoon Ho Jang, Sukin Kang, Jung-Hae Choi*, and Cheol Seong Hwang*, "Enhancing the Crystallization and Properties of the SrRuO3 Electrode Film Grown by Atomic Layer Deposited SrO and Pulsed Chemical Vapor Deposited RuO2 through Al Doping," ACS Appl. Electron. Mater. 5, 4187 (2023). (https://doi.org/10.1021/acsaelm.3c00448)

93. Junil Lim, Dae Seon Kwon, Haengha Seo, Tae Kyun Kim, Heewon Paik, Jonghoon Shin, Haewon Song, Yoon Ho Jang, Yu-kyung Park, Keonuk Lee, Young Sin Kim, Jung-Hae Choi*, and Cheol Seong Hwang*, "Improving the Properties of SrRuO3 Electrode Films Grown by Atomic Layer-Deposited SrO and Pulsed Chemical Vapor-Deposited RuO2 Using Al2O3 Capping Layers," ACS Appl. Electron. Mater. 5, 4494 (2023).(https://doi.org/10.1021/acsaelm.3c00680)

92. Seungjae Yoon, Gyuseung Han, Kun Hee Ye, Taeyoung Jeong, Cheol Seong Hwang, and Jung-Hae Choi*, "A first principles study of the in-plane strain effects on the dielectric constant of high-κ Be0.25Mg0.75O superlattice," J. Appl. Phys. 134, 054102 (2023). (https://doi.org/10.1063/5.0159353)

91. Narendra S. Parmar, Haena Yim, Lynn A. Boatner, Panithan Sriboriboon, Yunseok Kim, Kyung Song, Jung-Hae Choi, In Won Yeu and Ji-Won Choi, "Ordered Electronic Reconstruction of the (11̄20) ZnO Single Crystal," Adv. Electron. Mater. 9, 2201336 (2023). (https://doi.org/10.1002/aelm.202201336) 

90. Chanyoung Yoo, Jeong Woo Jeon, Seungjae Yoon, Yan Cheng, Gyuseung Han, Wonho Choi, Byongwoo Park, Gwangsik Jeon, Sangmin Jeon, Woohyun Kim, Yonghui Zheng, Jongho Lee, Junku Ahn, Sunglae Cho, Scott B. Clendenning, Ilya V. Karpov, Yoon Kyung Lee, Jung-Hae Choi, and Cheol Seong Hwang, "Atomic Layer Deposition of Sb2Te3/GeTe Superlattice Film and Its Melt-Quenching-Free Phase-Transition Mechanism for Phase-Change Memory," Adv. Mater. 2207143 (2022) (https://doi.org/10.1002/adma.202207143)

89. Gyuseung Han, In Won Yeu, Kun Hee Ye, Seungjae Yoon, Taeyoung Jeong, Seung-Cheol Lee, Cheol Seong Hwang, and Jung-Hae Choi*, "Temperature-dependent bandgap of (In,Ga)As via P5Grand: a Python Package for Property Prediction of Pseudobinary systems using Grand canonical ensemble,” Chem. Phys. Lett. 804, 139887 (2022). (https://doi.org/10.1016/j.cplett.2022.139887)

88. Eunjung Ko*, Jung-Hae Choi*, "Effects of Interface Atomic Rearrangement on Band Alignments in Ge/a-Al2O3/Au Heterostructure from First Principles," Appl. Surf. Sci. 594, 153491 (2022). (https://doi.org/10.1016/j.apsusc.2022.153491)

87. Eunjung Ko*, Jung-Hae Choi*, "Comparison of interfaces, band alignments, and tunneling currents between crystalline and amorphous silica in Si/SiO2/Si structures," Mater. Res. Express 9, 045005 (2022). (https://doi.org/10.1088/2053-1591/ac639f)

86. Haengha Seo, In Won Yeu, Dae Seon Kwon, Dong Gun Kim, Junil Lim, Tae Kyun Kim, Heewon Paik, Jung-Hae Choi, and Cheol Seong Hwang*, "The Contrasting Impacts of the Al2O3 and Y2O3 Insertion Layers on the Crystallization of ZrO2 Films for Dynamic Random Access Memory Capacitors,” Adv. Electron. Mater. 8, 2200099 (2022). (https://doi.org/10.1002/aelm.202200099) Outside Front Cover Image of Vol. 8, Issue 7.

85. Gyuseung Han, In Won Yeu, Kun Hee Ye, Cheol Seong Hwang, and Jung-Hae Choi*, "Atomistic prediction on the composition- and configuration- dependent bandgap of Ga(As,Sb) using cluster expansion and ab initio thermodynamics," Mater. Sci. Eng. B 280, 115713 (2022).  (https://doi.org/10.1016/j.mseb.2022.115713)

84. Yan Cheng, Zhaomeng Gao, Kun Hee Ye, Hyeon Woo Park, Yonghui Zheng, Yunzhe Zheng, Jianfeng Gao, Min Hyuk Park, Jung-Hae Choi, Kan-Hao Xue, Cheol Seong Hwang, and Hangbing Lyu, "Reversible transition between the polar and antipolar phases and its implications for wake-up and fatigue in HfO2-based ferroelectric thin film," Nat. Commun. 13, 645 (2022). (https://doi.org/10.1038/s41467-022-28236-5)

83. Jihun Kim, Hyo Cheon Woo, Taeyoung Jeong, Jung-Hae Choi, and Cheol Seong Hwang, "In-depth analysis of one selector-one resistor crossbar array for its writing and reading operations for hardware neural network with finite wire resistance," Adv. Intell. Syst. 3, 2100174 (2021). (https://doi.org/10.1002/aisy.202100174) Open Access.

82. In Won Yeu, Gyuseung Han, Kun Hee Ye, Cheol Seong Hwang, and Jung-Hae Choi*, "InterPhon: Ab initio Interface Phonon Calculations within a 3D Electronic Structure Framework," Comput. Phys. Commun. 268, 108089, (2021). (https://doi.org/10.1016/j.cpc.2021.108089) arXiv, Gold Open Access.

81. Kun Hee Ye, Gyuseung Han, In Won Yeu, Cheol Seong Hwang*, and Jung-Hae Choi*, "Atomistic Understanding of the Ferroelectric Properties of a Wurtzite Structure (AlN)n/(ScN)m Superlattice," Phys. Status Solidi RRL. 15, 2100009 (2021). [Special Issue; Emerging Fluorite- and Wurtzite-type Ferroelectrics: From (Hf,Zr)O2 to AlN and Related Materials.] (https://doi.org/10.1002/pssr.202100009) Outside Front Cover Image of Vol. 15, Issue 5. 

80. Hansung Kim, In Won Yeu, Gyuseung Han, Gunwu Ju, Yun Joong Lee, Young-hun Shin, Jung-Hae Choi, Hyun Cheol Koo, and Hyung-jun Kim, "Surface morphology evolution and underlying defects in homoepitaxial growth of GaAs (110)," J. Alloys Compd. 874[5] 159848 (2021). (https://doi.org/10.1016/j.jallcom.2021.159848) Gold Open Access.

79. Gyuseung Han, In Won Yeu, Kun Hee Ye, Seung-Cheol Lee, Cheol Seong Hwang*, and Jung-Hae Choi*, "Atomistic prediction on the configuration- and temperature-dependent dielectric constant of Be0.25Mg0.75O superlattice as a high-κ dielectric layer." J. Mater. Chem. C,  9, 851  (2021). (https://doi.org/10.1039/D0TC05071G) Inside Front Cover Image of Vol. 9, Issue 3.

78. Anup Kumar Mandia, Bhaskaran Muralidharan, Jung-Hae Choi, Seung-Cheol Lee, and Satadeep Bhattacharjee, "AMMCR: Ab-initio model for mobility and conductivity calculation by using Rode Algorithm," Comput. Phys. Commun. 259, 107697 (2021). (https://doi.org/10.1016/j.cpc.2020.107697)

77. Gyuseung Han, In Won Yeu, Jaehong Park, Kun Hee Ye, Seung-Cheol Lee, Cheol Seong Hwang, and Jung-Hae Choi*, "Effect of local strain energy to predict accurate phase diagram of III-V pseudobinary systems: case of Ga(As,Sb) and (In,Ga)As,"  J. Phys. D: Appl. Phys. 54, 045104 (2021). (https://doi.org/10.1088/1361-6463/abbf78)

76. In Won Yeu, Gyuseung Han, Cheol Seong Hwang, and Jung-Hae Choi*, "An ab initio approach on the asymmetric stacking of GaAs <111> nanowires grown by a vapor-solid method," Nanoscale 12, 17703 (2020). (DOI: 10.1039/d0nr02010a) Outside Front Cover Image of Vol. 12, Issue 34.

75. Sanjay Nayak, Satadeep Bhattacharjee, Jung-Hae Choi, and Seung-Cheol Lee, "Machine Learning and Scaling Laws for Prediction of Accurate Adsorption Energy," J. Phys. Chem. A  124, 247 (2020). (https://doi.org/10.1021/acs.jpca.9b07569)

74. Kai Liu, In Won Yeu, Cheol Seong Hwang, and Jung-Hae Choi*, "Initial oxidation and surface stability diagram of Ge(100) as a function of the temperature and oxygen partial pressure through ab-initio thermodynamics," Phys. Scr. 95, 025701 (2020). (https://doi.org/10.1088/1402-4896/ab4064)

73. Woo Chul Lee, Sangtae Kim, Eric S. Larsen, Jung-Hae Choi, Seung-Hyub Baek, Minji Lee, Deok-Yong Cho, Han-Koo Lee, Cheol Seong Hwang, Christopher W. Bielawski, and Seong Keun Kim, "Atomic Engineering of Metastable BeO6 Octahedra in a Rocksalt Framework," Appl. Surf. Sci. 501, 144280 (2020). (https://doi.org/10.1016/j.apsusc.2019.144280)

72. Min Hyuk Park, Han Joon Kim, Gwangyeop Lee, Jaehong Park, Young Hwan Lee, Yu Jin Kim, Taehwan Moon, Keum Do Kim, Seung Dam Hyun, Hyun Woo Park, Hye Jung Chang, Jung-Hae Choi, and Cheol Seong Hwang, "A comprehensive study on the mechanism of ferroelectric phase formation in hafnia-zirconia nanolaminates and superlattices," Appl. Phys. Rev. 6, 041403 (2019). (https://doi.org/10.1063/1.5118737) Featured Article.

71. Jaehong Park, In Won Yeu, Gyuseung Han, Cheol Seong Hwang and Jung-Hae Choi*,  "Ferroelectric switching in bilayer 3R MoS2 via interlayer shear mode driven by nonlinear phononics," Sci. Rep. 9, 14919 (2019). (https://doi.org/10.1038/s41598-019-50293-y) open access pdf

70. In Won Yeu, Gyuseung Han, Jaehong Park, Cheol Seong Hwang, and Jung-Hae Choi*, "Theoretical understanding of the catalyst-free growth mechanism of GaAs <111>B nanowires " Appl. Surf. Sci. 497[15] 143740 (2019). (https://doi.org/10.1016/j.apsusc.2019.143740) erratum on the volume number in pdf

69. Kai Liu, Cheol Seong Hwang, and Jung-Hae Choi*, "A First-Principles Study on the Oxygen Adsorption and Interface Characteristics with a-GeO2 of Ge[001] Nanowire,"  J. Kor. Phys. Soc. 75[4] 283-285 (2019). (DOI: 10.3938/jkps.75.283)

68. Kai Liu, Eunjung Ko, Cheol Seong Hwang, and Jung-Hae Choi*, "A first-principles study of the structural and electronic properties of the epitaxial Ge(111)/La2O3(001) heterostructure," accepted in  J. Phys. D: Appl. Phys. 52[36] 365101 (2019). (DOI: 10.1088/1361-6463/ab29da)

67. Younjin Jang, In Won Yeu, Jun Shik Kim, Jeong Hwan Han, Jung-Hae Choi*, and Cheol Seong Hwang*, "Reduction of the Hysteresis Voltage in Atomic-layer-deposited p-Type SnO Thin-Film Transistors by Adopting Al2O3 Interfacial Layer," Adv. Electron. Mater. 5[5] 1900371 (2019).  (https://doi.org/10.1002/aelm.201900371)

66. Jaehong Park, In Won Yeu, Gyuseung Han, Chaun Jang, Joon Young Kwak, Cheol Seong Hwang and Jung-Hae Choi*, “Optical Control of the Layer Degree of Freedom through Wannier-Stark States in Polar 3R MoS2,” J. Phys. Condens. Matter 31[31] 315502 (2019). (https://doi.org/10.1088/1361-648X/ab1d0f)

65. Jaehong Park, In Won Yeu, Gyuseung Han, Cheol Seong Hwang, and Jung-Hae Choi*, "Role of the short-range order in amorphous oxide on MoS2/a-SiO2 and MoS2/a-HfO2 interfaces," Phys. Status Solidi B, 256[3] 201900002 (2019). (https://doi.org/10.1002/pssb.201900002)

64. Eunjung Ko, Kai Liu, Cheol Seong Hwang, Hyoung Joon Choi, and Jung-Hae Choi*, "Tunneling properties of the charge carriers through sub-2 nm-thick oxide in Ge/a-GeO2/Ge structures using the first-principles scattering-state method," Phys. Rev. Appl. 11[3] 034016 (2019). (https://doi.org/10.1103/PhysRevApplied.11.034016)

63. Kai Liu, Eunjung Ko, Sangtae Kim, Jaehong Park, Cheol Seong Hwang, and Jung-Hae Choi*, "Orientation-dependent structural and electronic properties of Ge/a-GeO2 interfaces: first-principles study,"  J. Phys. D: Appl. Phys. 52[15] 155101 (2019). (https://dx.doi.org/10.1088/1361-6463/ab014e)

62. In Won Yeu, Gyuseung Han, Jaehong Park, Cheol Seong Hwang, and Jung-Hae Choi*, "Equilibrium crystal shape of GaAs and InAs considering surface vibration and new (111)B reconstruction: ab-initio thermodynamics," Sci. Rep. 9, 1127 (2019). (doi.org/10.1038/s41598-018-37910-y)

61. Sangtae Kim, Hyo Jin Gwon, Sung Wook Paek, Seong Keun Kim, Ji-Won Choi, Jin-Sang Kim, Jung-Hae Choi, Chong-Yun Kang & Seung-Hyub Baek, "A novel class of oxynitrides stabilized by nitrogen dimer formation," Sci. Rep. 8, 14471 (2018). (DOI:10.1038/s41598-018-32909-x)

60. Vladimir Kornijcuk, Hyungkwang Lim, Inho Kim, Jong-Keuk Park, Wook-Seong Lee, Jung-Hae Choi, Byung Joon Choi, and Doo Seok Jeong, "Scalable excitatory synaptic circuit design using floating gate based leaky integrators," Sci. Rep. 7, 17579 (2017). (doi.org/10.1038/s41598-017-17889-8)

59. In Won Yeu, Jaehong Park, Gyuseung Han, Cheol Seong Hwang, and Jung-Hae Choi*, "Surface reconstruction of InAs (001) depending on the pressure and temperature examined by density functional thermodynamics,"  Sci. Rep. 7, 10691 (2017). (doi:10.1038/s41598-017-10881-2)

58. Swastika Banerjee, Jaehong Park, Cheol Seong Hwang, Jung-Hae Choi, Seung-Cheol Lee, and Swapan K Pati, "Regulation of Transport Property by Polytypism: A computational study on bilayer MoS2," Phys. Chem. Chem. Phys., 19, 21282-21286 (2017). (DOI: 10.1039/c7cp02973j)

57. Woo Chul Lee, Cheol Jin Cho, Jung-Hae Choi, Jin Dong Song, Cheol Seong Hwang, and Seong Keun Kim, "Correct Extraction of Frequency Dispersion in Accumulation Capacitance in InGaAs Metal-Insulator-Semiconductor Devices," Electron. Mater. Lett., 12, 768 (2016). (https://doi.org/10.1007/s1339)

56. Kwang-Chon Kim, Joohwi Lee, Byung Kyu Kim, Won Young Choi, Hye Jung Chang, Sung Ok Won, Beomjin Kwon, Seong Keun Kim, Dow-Bin Hyun, Hyun Jae Kim, Hyun Cheol Koo, Jung-Hae Choi, Dong-Ik Kim, Jin-Sang Kim, and Seung-Hyub Baek "Free-electron creation at 60° twin boundary in Bi2Te3," Nat. Commun. 7, 12449 (2016). (doi:10.1038/ncomms12449)

55. Jaehong Park, Joohwi Lee, Cheol Seong Hwang, and Jung-Hae Choi*, "Atomic and electronic structures of a-ZnSnO3/a-SiO2 interface by ab-initio molecular dynamics simulations," Phys. Status Solidi B, 253, 1765 (2016). (https://doi.org/10.1002/pssb.201600104)

54. Chan-Rok Park, Seon Young Moon, Da-Hee Park, Shin-Ik Kim, Seong-Keun Kim, Chong-Yun Kang, Seung-Hyub Baek, Jung-Hae Choi, Jin-Sang Kim, Eunsoo Choi, and Jin-Ha Hwang, "Impedance-based interpretations in 2-dimensional electron gas conduction formed in the LaAlO3/SrxCa1-xTiO3/SrTiO3 system," J. Phys. Chem. Solids, 93, 131 (2016). (https://doi.org/10.1016/j.jpcs.2016.02.017)

53. Seul Ji Song, Yu Jin Kim, Min Hyuk Park, Young Hwan Lee, Han Joon Kim, Taehwan Moon, Keum Do Kim, Jung-Hae Choi, Zhihui Chen, Anquan Jiang, and Cheol Seong Hwang, "Alternative interpretations for decreasing voltage with increasing charge in ferroelectric capacitors," Sci. Rep. 6, 20825 (2016). (doi:10.1038/srep20825)

52. Woongkyu Lee, Sijung Yoo, Kyung Jean Yoon, In Won Yeu, Hye Jung Chang, Jung-Hae Choi, Susanne Hoffmann-Eifert, Rainer Waser, and Cheol Seong Hwang, "Resistance switching behavior of atomic layer deposited SrTiO3 film through possible formation of Sr2Ti6O13 or Sr1Ti11O20 phases," Sci. Rep. 6, 20550 (2016). (doi:10.1038/srep20550)

51. Jungho Shin, Jung-Hae Choi, Pil-Ryung Cha, Seong Keun Kim, Inho Kim, Seung-Cheol Lee, and Doo Seok Jeong, "Catalytic activity for oxygen reduction reaction on platinum-based core-shell nanoparticles: all-electron density functional theory," Nanoscale, 7, 15830 (2015). (DOI:10.1039/C5NR04706D)

50. Jaehyun Park, Joohwi Lee, Jung-Hae Choi, Do Kyung Hwang, Yong-Won Song, "Growth, quantitative growth analysis, and applications of graphene on γ-Al2O3 catalysts,"  Sci. Rep. 5, 11839 (2015). (doi:10.1038/srep11839)

49. Joohwi Lee, Jong Kwon Choi, Seon Young Moon, Jaehong Park, Jin-Sang Kim, Cheol Seong Hwang, Seung-Hyub Baek, Jung-Hae Choi,* and Hye Jung Chang,* “Symmetry-dependent interfacial reconstruction to compensate polar discontinuity at perovskite oxide interfaces (LaAlO3/SrTiO3 and LaAlO3/CaTiO3),” Appl. Phys. Lett., 106 071601 (2015). (doi: http://dx.doi.org/10.1063/1.4913242)

48. Joohwi Lee, Youngho Kang, Cheol Seong Hwang, Seungwu Han, Seung-Cheol Lee, and Jung-Hae Choi*, “Effect of oxygen vacancy on the structural and electronic characteristics in crystalline Zn2SnO4,” J. Mater. Chem. C, 2 8381 (2014).  (DOI:10.1039/C4TC01366B) Open Access.

47. Jungho Shin, Jung-Hae Choi, Youn-Sang Bae, and Seung-Cheol Lee, “Effect of Surface Hydroxyl Coverage on Platinum Nanoparticles in the Oxygen Reduction Reaction: All-Electron Density Functional Theory," Chem. Phys. Lett. 610-611 86 (2014).  (https://doi.org/10.1016/j.cplett.2014.06.060)

46. Joohwi Lee, Youngho Kang, Seungwu Han, Cheol Seong Hwang and Jung-Hae Choi*, "Ab-initio study on the structural characteristics of amorphous Zn2SnO4,” Appl. Phys. Lett., 103 252102 (2013). (doi: http://dx.doi.org/10.1063/1.4850895)

45. Sang Ho Rha, Un Ki Kim, Jisim Jung, Eun Suk Hwang, Jung-Hae Choi, and Cheol Seong Hwang, "Double-layered vertically integrated amorphous-In2Ga2ZnO7 thin-film transistor,” Appl. Phys. Lett., 103 183593 (2013). (doi: http://dx.doi.org/10.1063/1.4827955)

44. Sang Ho Rha, Un Ki Kim, Jisim Jung, Eun Suk Hwang, Seung Jun Lee, Woojin Jeon, Yeon Woo Yoo, Jung-Hae Choi, and Cheol Seong Hwang, “Variation in the threshold voltage of amorphous-In2Ga2ZnO7 thin-film transistors by ultrathin Al2O3  passivation layer,” J. Vac. Sci. Technol. B 31(6) 061205 (2013). (doi: http://dx.doi.org/10.1116/1.4827276)

43. Un Ki Kim, Sang Ho Rha, Jeong Hwan Kim, Yoon Jang Chung, Jisim Jung, Eun Suk Hwang, Joohwi Lee, Tae Joo Park, Jung-Hae Choi, and Cheol Seong Hwang, “Study on the defects in metal-organic chemical vapor deposited zinc tin oxide thin films using negative bias illumination stability analysis,” J. Mater. Chem. C, 1(40) 6695-6702 (2013). (DOI:10.1039/C3TC31323A)

42. Joohwi Lee, Seung-Cheol Lee and Cheol Seong Hwang, and Jung-Hae Choi*, “'Thermodynamic stability of various phases of zinc tin oxides from ab-initio calculation”, J. Mater. Chem. C, 1(39) 6364-6374  (2013). (DOI:10.1039/C3TC30960F) Open Access.

41. Joohwi Lee, Deok-Yong Cho, Jisim Jung, Un Ki Kim, Sang Ho Rha, Cheol Seong Hwang, and Jung-Hae Choi*, "Theoretical and experimental studies on the electronic structure of crystalline and amorphous ZnSnO3 thin films," Appl. Phys. Lett., 102 242111 (2013). (doi: http://dx.doi.org/10.1063/1.4811788)

40. Jung Soo Oh, Ho-Seok Nam, Jung-Hae Choi, and Seung-Cheol Lee, “Prediction of Atomic Structure of Pt-based Bimetallic Nanoalloys by Using Genetic Algorithm,” Met. Mater. Int., 19[3] 513-518 (2013). 

39. Sang Ho Rha, Un Ki Kim, Jisim Jung, Hyo Kyeom Kim, Yoon Soo Jung, Eun Suk Hwang, Yoon Jang Chung, Mijung Lee, Jung-Hae Choi, and Cheol Seong Hwang, “The Electrical Properties of Asymmetric Schottky Contact Thin-Film Transistors with Amorphous-In2Ga2ZnO7,” IEEE Trans. Electron Devices, 60[3] 1128-1135 (2013). 

38. Rizcky Tamarany, Hyung-jun Kim, Jung-Hae Choi, Seung-Cheol Lee "Ab initio atomistic thermodynamics calculations of the initial deposition of epitaxial MgO film on GaAs (001)-β2 (2x4)," J. Appl. Phys. 113 05350 (2013). (doi: http://dx.doi.org/10.1063/1.4789952)

37. Na-Young Park, Jung-Hae Choi, Pil-Ryung Cha, Woo-Sang Jung, Soon-Hyo Chung, and Seung-Cheol Lee, “First-principles study of the interfaces between Fe and Transition Metal Carbides," J. Phys. Chem. C. 117 187 (2013). (DOI: 10.1021/jp306859n)

36. Woo Young Park, Min Hyuk Park, Jong Ho Lee, Jung Ho Yoon, Jeong Hwan Han, Jung-Hae Choi*, and Cheol Seong Hwang*, “Strain evolution of each type of grains in poly-crystalline (Ba,Sr)TiO3 thin films grown by sputtering,” Sci. Rep, 2 939 (2012). (doi:10.1038/srep00939)

35. Sang Ho Rha, Jisim Jung, Yoonsoo Jung, Yoon Jang Chung, Un Ki Kim, Eun Suk Hwang, Byoung Keon Park, Tae Joo Park, Jung-Hae Choi, and Cheol Seong Hwang, “Performance variation according to device structure and the source/drain metal electrode of a-IGZO TFTs,” IEEE Trans. Electron Devices, 59[12] 3357-3363 (2012). (DOI: 10.1109/TED.2012.2220367 )

34. Jungho Shin, Jung-Hae Choi, and Seung-Cheol Lee, “All-Electron Scalar Relativistic Calculations of Atomic Hydrogen Adsorption on Cubo-Octahedron Pt55 Nanoparticles,” Phys. Status. Solidi B, 249 2145-2149 (2012). (DOI: 10.1002/pssb.201248291)

33. Hyung-Suk Jung, Il-Hyuk Yu, Hyo Kyeom Kim, Sang Young Lee, Joohwi Lee, Yujin Choi, Yoon Jang Chung, Nae-In Lee, Tae Joo Park, Jung-Hae Choi, and Cheol Seong Hwang, “Reduction of Charge Trapping in HfO2 Film on Ge Substrates by Atomic Layer Deposition of Various Passivating Interfacial Layers,” IEEE Trans. Electron Devices, 59 2350-2356 (2012). (DOI: 10.1109/TED.2012.2204996)

32. Hyung-Suk Jung, Sang-Ho Jeon, Hyo Kyeom Kim, Il-Hyuk Yu, Sang Young Lee, Joohwi Lee, Yoon Jang Chung, Deok-Yong Cho, Nae-In Lee, Tae Joo Park, Jung-Hae Choi, Seungwu Han, and Cheol Seong Hwang, “The impact of carbon concentration on the crystalline phase and dielectric constant of atomic layer deposited HfO2 films,” ECS Journal of Solid State Science and Technology, 1(2) N33-N37 (2012).  (doi: 10.1149/2.020202jss)

31. Sae-Jin Kim, Seung-Cheol Lee and Jung-Hae Choi*, “Density functional calculations on the mechanical properties of nitrogen or oxygen doped crystalline Ge2Sb2Te5,” J. Nanosci. Nanotechnol., 12 6113-6119 (2012). (DOI: https://doi.org/10.1166/jnn.2012.6387)

30. Kayoung Yun, Yong-Hun Cho, Pil-Ryung Cha, Jaegab Lee, Ho-Seok Nam, Jung Soo Oh, Jung-Hae Choi, and Seung-Cheol Lee, “Monte Carlo simulations of the structure of Pt-based bimetallic nanoparticles,” Acta Mater., 60 4908 (2012).  (https://doi.org/10.1016/j.actamat.2012.05.032) 

29. Sae-Jin Kim, Joohwi Lee, Seung-Cheol Lee, Cheol Seong Hwang and Jung-Hae Choi*, “Ab initio calculations on the atomic and electronic structures of oxygen-doped hexagonal Ge2Sb2Te5,” Appl. Phys. Exp., 5[7] 071801 (2012). (https://doi.org/10.1143/APEX.5.071801)

28. Sang Ho Rha, Jisim Jung, Yoon soo Jung, Yoon Jang Chung, Un Ki Kim, Eun Suk Hwang, Byoung Keon Park, Tae Joo Park, Jung-Hae Choi, and Cheol Seong Hwang, “Vertically integrated submicron amorphous-In2Ga2ZnO7 thin film transistor using a low temperature process,” Appl. Phys. Lett. 100 203510 (2012). (doi: http://dx.doi.org/10.1063/1.4717621)

27. Sang-Ho Rha, Un Ki Kim, Jisim Jung,  Eun Suk Hwang, Jung-Hae Choi, and Cheol Seong Hwang, “Double-layered vertically integrated amorphous-In2Ga2ZnO7 thin-film transistor,” Appl. Phys. Lett. 100 183503 (2012). (http://dx.doi.org/10.1063/1.4827955)

26. Sae-Jin Kim, Joohwi Lee, Seung-Cheol Lee, Chan Park, Cheol Seong Hwang, and Jung-Hae Choi,* “Migration of nitrogen in hexagonal Ge2Sb2Te5: An ab-initio study,” Phys. Status Solidi RRL, 6[3] 108-110 (2012). (DOI: 10.1002/pssr.201105516)

25. Hyung-Suk Jung, Hyo Kyeom Kim, Il-Hyuk Yu, Sang Young Lee, Joohwi Lee, Jinho Park, Jae Hyuck Jang, Sang-Ho Jeon, Yoon Jang Chung, Deok-Yong Cho, Nae-In Lee, Tae Joo Park, Jung-Hae Choi, and Cheol Seong Hwang, “Properties of Atomic Layer Deposited HfO2 Films on Ge Substrates Depending on Process Temperatures,” J. Electrochem. Soc. 159 [4] G33-G39 (2012). 

24. Joohwi Lee, Kwang Duk Na, Seung-Cheol Lee, Cheol Seong Hwang, and Jung-Hae Choi*, “Effects of magnitude and direction of the biaxial compressive strain on the formation and migration of a vacancy in Ge by using density functional theory,” J. Appl. Phys. 110 033504 (2011). (doi: http://dx.doi.org/10.1063/1.3611076)

23. Jinhyun Shin, Astini Vita, Sari Windu, Jung-Hae Choi*, Seung-Cheol Lee, and June Gunn Lee, “Energetics and Interdiffusion at the Cu/Ru(0001): Density Functional Calculations,” J. Nanosci. Nanotechnol., 11[7] 6589-6593 (2011). (https://doi.org/10.1166/jnn.2011.4460)  

22. Kwang Duk Na, Jeong Hwan Kim, Tae Joo Park, Jaewon Song, Cheol Seong Hwang and Jung-Hae Choi, “Improved properties of Pt-HfO2 gate insulator-ZnO semiconductor thin film structure by annealing of ZnO layer,” Thin Solid Films, 518 5326-5330 (2010). (https://doi.org/10.1016/j.tsf.2010.04.004)

21. Jung-Hae Choi*, Kwang Duk Na, Seung-Cheol Lee and Cheol Seong Hwang, “First-principles study on the formation of a vacancy in Ge under biaxial compressive strain,” Thin Solid Films, 518 6373-6377 (2010). (https://doi.org/10.1016/j.tsf.2010.03.140)

20. Sae-Jin Kim, Jung-Hae Choi*, Seung-Cheol Lee, Byung-ki Cheong, Doo Seok Jeong and Chan Park, “First-principles calculations on the energetics of nitrogen-doped hexagonal Ge2Sb2Te5,” J. Appl. Phys. 107 103522 (2010).  (doi: http://dx.doi.org/10.1063/1.3428362)

19. Sae-Jin Kim, Jung-Hae Choi*, Seung-Cheol Lee, and Chan Park, “Effects of temperature and tilt angle on the grain boundary structure in silicon oxide; Molecular dynamics study,” Met. Mater. Int. 16[2] 163-169 (2010). 

18. Seung-Cheol Lee, Young-Su Lee, Woo-Sang Chung, and Jung-Hae Choi, “Predictions on Atomic Structures of Ti1-xMoxC Using Combined Approach of First Principles and Cluster Expansion Method,” Met. Mater. Int. 15[5] 797-801 (2009). (UCI : http://uci.or.kr/G704-000797.2009.15.5.006)

17. Seung-Cheol Lee, Jung-Hae Choi, Kwang-Ryeol Lee, and Pil-Ryung Cha, “Origin of Ferromagnetism and Long-range Interactions of Cu in GaN: Chemical Bonding and Electronegativity Approaches,” J. Kor. Phys. Soc., 55[31] 1013-1017 (2009). 

16. Jong Hyun Kim, Yong Duk Kwon, Parlindungan Yonathan, Ikhwan Hidayat, June Gunn Lee, Jung-Hae Choi, and Seung-Cheol Lee, “The energetics of helium and hydrogen atoms in β-SiC: an ab initio approach,” J. Mater. Sci., 44[7] 1828-1833 (2009).

15.  Jung-Hae Choi*, Pil-Ryung Cha, Seung-Cheol Lee, Jung Soo Oh, and Kwang-Ryeol Lee, “Molecular Dynamics Simulation on the Behavior of Si(001) Vicinal Surface by Using Empirical Tersoff Potential,” J. Kor. Inst. Met. & Mater., 47[1] 32-37 (2009). 

14. Seung-Cheol Lee, Jung-Hae Choi*, and June Gunn Lee, “Energetics of He and H Atoms with Vacancies in Tungsten; First-Principles Approach,” J. Nucl. Mater., 383 244-246 (2009). (https://doi.org/10.1016/j.jnucmat.2008.09.017)

13. Jung-Hae Choi*, Seung-Cheol Lee and Kwang-Ryeol Lee, “A first-principles study on the bond characteristics in carbon containing Mo, Ag, or Al impurity atoms,” Carbon, 46 185-188 (2008). (https://doi.org/10.1016/j.carbon.2007.11.005)

12. Heon Woong Choi, Jung-Hae Choi*, Kwang-Ryeol Lee, Jae-Pyoung Ahn, and Kyu Hwan Oh, "Structure and Mechanical Properties of Ag-incorporated DLC Films Prepared by a Hybrid Ion Beam Deposition System," Thin Solid Films, 516[2-4], 248-251 (2007). (https://doi.org/10.1016/j.tsf.2007.06.154)

11. Jaehoo Park, Tae Joo Park, Moonju Cho, Seong Keun Kim, Sug Hun Hong, Jeong Hwan Kim, Min Ha Seo and Cheol Seong Hwang, Jeong Yeon Won, Ranju Jeong, Jung-Hae Choi, "Influence of the oxygen concentration of atomic-layer-deposited HfO2 gate dielectric films on the electron mobility of polycrystalline-Si gate transistors," J. Appl. Phys., 99 094501 (2006). (doi: http://dx.doi.org/10.1063/1.2193163)

10. Jae Kyeong Jeong, Jung-Hae Choi, Hyun Jin Kim, Hui-Chan Seo, Hee Jin Kim, Euijoon Yoon, Cheol Seong Hwang, and Hyeong Joon Kim, “Buffer-layer-free direct growth of high quality GaN on 4H-SiC substrate by metal-organic chemical vapor deposition,” J. Cryst. Growth, 276 407-414 (2005). (https://doi.org/10.1016/j.jcrysgro.2004.12.002)

9. Sang Yeol Kang, Sang Yong No, Jung-Hae Choi, Cheol Seong Hwang and Hyeong Joon Kim, “Pt-Doped Ru Films Prepared by CVD as Electrodes for DRAM Capacitors,” Electrochem. Solid-State Lett., 8 [1] C12-C14 (2005). (doi: 10.1149/1.1830398)

8. Young-Soo Jung, Jung-Hae Choi*, Je Hun Lee, Jong-Heun, and Doh-Yeon Kim, "Impedance Spectroscopic Estimation of Intergranular-Phase Distribution in CaO.2SiO2- or SiO2-in-diffused 8 mol%-Yttria-Stabilized Zirconia," Solid State Ionics, 175[1-4] 123-127 (2004). (https://doi.org/10.1016/j.ssi.2004.09.065)

7. Jae Kyeong Jeong, Jung-Hae Choi, Cheol Seong Hwang, Hyeong Joon Kim, Jae-Hoon Lee, Jung-Hee Lee Chang-Soo Kim, “Influence of Al-doping on lattice strain and electrical properties of epitaxial GaN films grown by metal-organic chemical vapor deposition on Al2O3 substrate,” Appl. Phys. Lett., 84 2575-2577 (2004). (doi: http://dx.doi.org/10.1063/1.1702135)

6. Young-Soo Jung, Jung-Hae Choi*, and Jong-Heun Lee, “Penetration and Characteristics of an Intergranular-Liquid Phase During Sintering of CaSi2O5-dropped 8 mol%-Yttria-Stabilized Zirconia: Estimation by Impedance Spectroscopy,” Mater. Sci. & Eng. B, 108 219-222 (2004). (https://doi.org/10.1016/j.mseb.2003.11.009)

5. Jung-Hae Choi*, and Doh-Yeon Kim, “Instability of Solid-Liquid Interfaces in Magnesia Single Crystal,” J. Ceram. Processing Res., 4[2] 56-61 (2003). 

4. Jung-Hae Choi, Doh-Yeon Kim, B. J. Hockey, S. M. Wiederhorn, J. E. Blendell, and C. A. Handwerker, "The Equilibrium Shape of Internal Cavities in Ruby and the Effect of Surface Energy Anisotropy on the Equilibrium Shape," J. Am. Ceram. Soc., 85[7] 1841-1844 (2002). (https://doi.org/10.1111/j.1151-2916.2002.tb00362.x)

3. Jung-Hae Choi, Nong Moon Hwang, and Doh-Yeon Kim, "Pore-Boundary Separation Behavior During Sintering of Pure and Bi2O3-Doped ZnO Ceramics," J. Am. Ceram. Soc., 84[6] 1398-1400 (2001). (https://doi.org/10.1111/j.1151-2916.2001.tb00850.x)

2. Tae-Wan Lee, Young-Boo Moon, Jung-Hae Choi, Doh-Yeon Kim, and Euijoon Yoon, "Asymmetric Growth Behavior of Selectively Grown InP on Vicinal (100) Surfaces by Low-Pressure Metal-Organic Chemical Vapor Deposition," J. Crystal Growth, 182 299-308 (1997). (https://doi.org/10.1016/S0022-0248(97)00349-7)

1. Jung-Hae Choi, Doh-Yeon Kim, B. J. Hockey, S. M. Wiederhorn, C. A. Handwerker, J. E. Blendell, W. C. Carter, and A. R. Roosen, "The Equilibrium Shape of Internal Cavities in Sapphire,"  J. Am. Ceram. Soc., 80[1] 62-68 (1997). (https://doi.org/10.1111/j.1151-2916.1997.tb02791.x)

Paper (non-SCI)

10. Jung Soo Oh, Ho-Seok Nam, Jung-Hae Choi, and Seung-Cheol Lee, “Prediction of atomic arrangement of Pt-Cu nanoalloy by genetic algorithm,” J. Phys: Conference Series 410 012084 (2013).

9. Jung Soo Oh, Wonryong Ryou, Seung-Cheol Lee, Jung-Hae Choi*,  “Prediction of atomic configuration in binary nanoparticles by genetic algorithm,” J. Kor. Ceram. Soc., 48[6] 493-498 (2011).

8. Jung Soo Oh, Jung-Hae Choi, and Seung-Cheol Lee, “Research Trend on the Genetic Algorithm for the Structure Prediction of Nanoparticles” Trend in Metals & Materials Engineering, 24[1] 29 (2011). 

7. Seung-Cheol Lee, Jung-Hae Choi, June Gunn Lee , Hye-Jin Jung, “State-of-the-Art of Atomic-Scale Simulation for Predicting Irradiation Damage of Materials for Fusion Applications," Trend in Metals & Materials Engineering, 21[4] 43 (2008).

6. Hye-Jin Jung, Seung-Cheol Lee, Jung-Hae Choi and Sang-Jun Oh, “Research on multi-scale simulation of fusion nuclear materials under irradiation effect,” Trend in Metals & Materials Engineering, 21[2] 38 (2008). 

5. Jung-Hae Choi*,  Hyo-Shin Ahn, Seung-Cheol Lee, and Kwang-Ryeol Lee, “Stress Reduction Be

avior in Metal-Incorporated Amorphous Carbon Films; First-Principle Approach,” J. Phys: Conference Series 29 155-158 (2006).

4.  Jung-Hae Choi*, Seung-Cheol Lee and Kwang-Ryeol Lee, “Atomic-scale Simulation by Tight Binding Method,” Ceramist, 8[2] 16-24 (2005). 

3. Jung-Hae Choi*,  “Effect of Surface Energy Anisotropy on the Equilibrium Shape of Sapphire Crystal," J. Kor. Ceram. Soc., 39[10] 907-11 (2002).

2. Jung-Hae Choi*, Jong-Heun Lee, and Doh-Yeon Kim,  "Redistribution of an Intergranular-Liquid Phase During Sintering of 1 mol%-Al2O3-doped Calcia-Stabilized Zirconia: Estimation by Impedance Spectroscopy," J. Kor. Ceram. Soc., 39[9] 818-21 (2002). 

1. Jung-Hae Choi*,  and Doh-Yeon Kim, “Sintering and Microstructure of the Structural Ceramics,” Ceramist, 4[3] 29-41 (2001).