Kan-Hao Xue Publication


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	*Peer-reviewed journal papers \| Conference Shell DFT-1/2 \| Ferroelectrics**

	156. (2025e) Shengxin Yang, Kan-Hao Xue*, and Xiangshui Miao, Fundamentals of plane wave-based methods for energy band calculations in solids, Journal of Physics: Condensed Matter 37, 233001 (2025). Impact Factor: 2.745 Available operations: Cited by: On Google: Copyright (2025) the authors, published by Institute of Physics, UK. This article is an OPEN ACCESS article and may be found at https://iopscience.iop.org/article/10.1088/1361-648X/adcf6b.

	155. (2025d) Zhengwei Ai, Yongfeng Liu, Kan-Hao Xue, Shengxin Yang, Jiangzhen Shi, Xiaobi Wang, Wenhong Zhou, Li Huang, and Xiangshui Miao, First-principles simulation of Sb-based superlattice for infrared detection with an ad hoc functional, Journal of Applied Physics 137, 185704 (2025). Impact Factor: 2.877 Available operations: Cited by: On Google:

	154. (2025c) Changying Xiong, Feiyu Tang, Meng Xu, Jiahao Shen, Yi Li, Kan-Hao Xue, Ming Xu*, and Xiangshui Miao, Natively oxidized 2D NbSe₂ enables ultralow-power electrical switching, Journal of Materials Chemistry C 13, 6095 (2025). Impact Factor: 8.067 Available operations: Cited by: On Google:

	153. (2025b) Jiancong Li, Yibai Xue, Yi Li, Han Jia, Zhiwei Zhou, Ling Yang, Shengguang Ren, Jia Chen, Yuhui He, Kanhao Xue, Ming Xu, and Xiangshui Miao, Fully analog iteration for solving matrix equations with in-memory computing, Science Advances 11, eadr6391 (2025). Available operations: Cited by: On Google:

	152. (2025a) Jiahao Shen, Feiyu Tang, Changying Xiong, Xianliang Mai, Huan Wang, Xiao Luo, Qundao Xu, Meng Xu, Yi Li, Kan-Hao Xue, Ming Xu*, Zhongrui Wang, and Xiangshui Miao, Subattojoule Electrical Switching in a Two-Dimensional TaSe₂ Oxide Device with High Endurance, Nano Letters 25, 2248 (2025). Impact Factor: 12.262 Available operations: Cited by: On Google:

	151. (2024n) Run-Jie Peng, Ying Zhu, Jun-Hui Yuan, Kan-Hao Xue, and Jiafu Wang*, A Family of Two-Dimensional Quaternary Compounds A₂BXY₂ (A = K, Na; B = Li, Na; X = Al, Ga, In; Y = P, As, Sb) for Optoelectronics Applications, ACS Applied Materials & Interfaces 16, 69744 (2024). Impact Factor: 10.383 Available operations: Cited by: On Google:

	150. (2024m) Lei Tong, Yali Bi, Yilun Wang, Kai Peng, Xinyu Huang, Wei Ju, Zhuiri Peng, Zheng Li, Langlang Xu, Runfeng Lin, Xiangxiang Yu, Wenhao Shi, Hui Yu, Huajun Sun, Kanhao Xue, Qiang He, Ming Tang, Jianbin Xu, Xinliang Zhang, Jinshui Miao, Deep Jariwala, Wei Bao, Xiangshui Miao, Ping Wang, and Lei Ye, Programmable nonlinear optical neuromorphic computing with bare 2D material MoS₂, Nature Communications 15, 10290 (2024). Impact Factor: 17.694 Available operations: Cited by: On Google:

	149. (2024l) Ge-Qi Mao, Heng Yu, Kan-Hao Xue*, Jinhai Huang, Zijian Zhou, and Xiangshui Miao, Unique switching mode of HfO₂ among fluorite-type ferroelectric candidates, Journal of Materials Chemistry C 12, 15463 (2024). Impact Factor: 8.067 Available operations: Cited by: On Google:

	148. (2024k) Chang Zhang, Shijiao Sun, Kan-Hao Xue, Yingchun Miao, Xiulan Hu, and Xiangyu Zhao, Graphene oxide coated functional separators as efficient metal chloride blocking layers for chloride ion batteries, Journal of Materials Chemistry A 12, 24203 (2024). Impact Factor: 14.511 Available operations: Cited by: On Google:

	147. (2024j) Sheng-Guang Ren, Ge-Qi Mao, Yi-Bai Xue, Yu Zhang, Jia-Yi Sun, Wen-Bin Zuo, Yi Li, Kan-Hao Xue, and Xiang-Shui Miao, Interface modeling analysis using density functional theory in highly reliable Pt/HfO₂/TaO_x/Ta self-rectifying memristor, Applied Physics Letters 125, 123503 (2024). Impact Factor: 3.971 Available operations: Cited by: On Google:

	146. (2024i) Heng Yu, Kan-Hao Xue, Ge-Qi Mao, Nan Feng, Yunzhe Zheng, Shengxin Yang, Jinhai Huang, Zihui Chen, Wei Yang, Yan Cheng, Ben Xu, and Xiangshui Miao, Phase transitions in typical fluorite-type ferroelectrics, Applied Physics Letters 125, 102903 (2024). Impact Factor: 3.971 Available operations: Cited by: On Google:

	145. (2024h) Junru Yuan, Yi Li, Meng Wang, Xiaodi Huang, Tao Zhang, Kan-Hao Xue, Junhui Yuan, Jun Ou-Yang, Xiaofei Yang, Xiangshui Miao, and Benpeng Zhu*, Ultrasound: A new strategy for artificial synapses modulation, InfoMat 6, e12528 (2024). Available operations: Cited by: On Google:

	144. (2024g) Mengling Xia, Xijuan Sun, Fan Ye, Mingquan Liao, Jiaqi Liu, Shiyou Liu, Dong Wu, Yinsheng Xu, Xianghua Zhang, Kan-Hao Xue, Xiangshui Miao, Jiang Tang, and Guangda Niu*, Stereo-Hindrance Engineering of A Cation toward <110>-Oriented 2D Perovskite with Minimized Tilting and High-Performance X-Ray Detection, Advanced Materials 36, 2313663 (2024). Impact Factor: 32.086 Available operations: Cited by: On Google:

	143. (2024f) Jinhai Huang, Wei Yang, Zihui Chen, Shengxin Yang, Kan-Hao Xue*, and Xiangshui Miao, Why is the bandgap of GaP indirect while that of GaAs and GaN are direct?, Physica Status Solidi-Rapid Research Letters 18, 2300489 (2024). Available operations: Cited by: On Google:

	142. (2024e) Zhengwei Ai, Shengxin Yang, Kan-Hao Xue, Wei Yang, Jinhai Huang, and Xiangshui Miao, DFT-1/2 for ionic insulators: Impact of self-energy potential on band gap correction, Computational Materials Science 239*, 112978 (2024). Impact Factor: 3.572 Available operations: Cited by: On Google:

	141. (2024d) Fengjun Yan, Yao Wu, Yilong Liu, Pu Ai, Shiqing Deng, Kan-Hao Xue, Qiuyun Fu, and Wen Dong*, Recent progress on defect-engineered ferroelectric HfO₂: A next step moves forward by multiscale structural optimization, Materials Horizons 11, 626 (2024). Available operations: Cited by: On Google:

	140. (2024c) Xinyuan Du, Shan Zhao, Lu Wang, Haodi Wu, Fan Ye, Kan-Hao Xue, Shaoqian Peng, Jianlong Xia, Ziru Sang, Dongdong Zhang, Zuping Xiong, Zhiping Zheng, Ling Xu, Guangda Niu, and Jiang Tang, Efficient and ultrafast organic scintillators by hot exciton manipulation, Nature Photonics 18, 162 (2024). Available operations: Cited by: On Google:

	139. (2024b) Zhou Cui, Baisheng Sa, Kan-Hao Xue, Yinggan Zhang, Rui Xiong, Cuilian Wen, Xiangshui Miao, and Zhimei Sun, Magnetic-ferroelectric synergic control of multilevel conducting states in van der Waals multiferroic tunnel junctions towards in-memory computing, Nanoscale 16, 1331 (2024). Impact Factor: 8.307 Available operations: Cited by: On Google:

	138. (2024a) Qiliang Zhu, Fan Ye, Wei Yan, Jingrun Zhu, Jianhua Shen, Kan-Hao Xue, Yihua Zhu, and Chunzhong Li, Liquid-solid-Interpenetration Surface Reconstruction of Monodisperse Water Stabilized CsPbBr₃/CsPb₂Br₅ Core/Shell Perovskite Nanocrystals, Advanced Optical Materials 12, 2301211 (2024). Available operations: Cited by: On Google:

	137. (2023q) Zhao-Yi Yan, Zhan Hou, Kan-Hao Xue, He Tian, Tian Lu, Junying Xue, Fan Wu, Ruiting Zhao, Minghao Shao, Jianlan Yan, Anzhi Yan, Zhenze Wang, Penghui Shen, Mingyue Zhao, Xiangshui Miao, Zhaoyang Lin, Houfang Liu, Yi Yang, and Tian-Ling Ren*, Landauer-QFLPS Model for Mixed Schottky-Ohmic Contact Two-Dimensional Transistors, Advanced Science 10, 2303734 (2023). Impact Factor: 17.521 Available operations: Cited by: On Google:

	136. (2023p) Zhao-Yi Yan, Zhan Hou, Fan Wu, Ruiting Zhao, Jianlan Yan, Anzhi Yan, Zhenze Wang, Kan-Hao Xue, Houfang Liu, He Tian, Yi Yang, and Tian-Ling Ren*, A drain current formula for two-dimensional field-effect transistors with one-shot convergence algorithm, 2D Materials 10, 045026 (2023). Available operations: Cited by: On Google:

	135. (2023o) Pu Ai, Fengjun Yan, Wen Dong, Shi Liu, Junlei Zhao, Kan-Hao Xue, Syed Ul Hasnain Bakhtiar, Yilong Liu, Qi Ma, Ling Miao, Mengyuan Hua, Guangzu Zhang, Shenglin Jiang, Wei Luo, and Qiuyun Fu, Point-defect-driven flattened polar phonon bands in fluorite ferroelectrics, npj Computational Materials 9, 119 (2023). Impact Factor: 12.256 Available operations: Cited by: On Google:

	134. (2023n) Zhe Yang, Ziyan Yang, Long Liu, Xin Li, Junze Li, Changying Xiong, Xianliang Mai, Hao Tong, Yi Li, Kan-Hao Xue, Xiaoyong Xue, Ming Xu, Dehui Li, Peng Zhou, and Xiangshui Miao*, Anisotropic mass transport enables distinct synaptic behaviors on 2D material surface, Materials Today Electronics 5, 100047 (2023). Available operations: Cited by: On Google:

	133. (2023m) Tong Jin, Zheng Liu, Jiajun Luo, Jun-Hui Yuan, Hanqi Wang, Zuoxiang Xie, Weicheng Pan, Haodi Wu, Kan-Hao Xue, Linyue Liu, Zhanli Hu, Zhiping Zheng, Jiang Tang, and Guangda Niu, Self-wavelength shifting in two-dimensional perovskite for sensitive and fast gamma-ray detection, Nature Communications 14, 2808 (2023). Impact Factor: 17.694 Available operations: Cited by: On Google:

	132. (2023l) Jinhai Huang, Ge-Qi Mao, Kan-Hao Xue, Shengxin Yang, Fan Ye, Huajun Sun, and Xiangshui Miao, Impact of Zr substitution on the electronic structure of ferroelectric hafnia, Journal of Applied Physics 133*, 184101 (2023). Impact Factor: 2.877 Available operations: Cited by: On Google:

	131. (2023k) Xinyu Huang, Luman Zhang, Lei Tong, Zheng Li, Zhuiri Peng, Runfeng Lin, Wenhao Shi, Kan-Hao Xue, Hongwei Dai, Hui Cheng, Danilo de Camargo Branco, Jianbin Xu, Junbo Han, Gary J. Cheng, Xiangshui Miao, and Lei Ye, Manipulating exchange bias in 2D magnetic heterojunction for high-performance robust memory applications, Nature Communications 14, 2190 (2023). Impact Factor: 17.694 Available operations: Cited by: On Google:

	130. (2023j) Junhui Yuan, Kanhao Xue, Xiangshui Miao, and Lei Ye, A family of flexible two-dimensional semiconductors: MgMX₂Y₆ (M = Ti/Zr/Hf; X = Si/Ge; Y = S/Se/Te), Journal of Semiconductors 44, 042101 (2023). Available operations: Cited by: On Google:

	129. (2023i) Ge-Qi Mao, Jun-Hui Yuan, Kan-Hao Xue, Jinhai Huang, Shengxin Yang, and Xiangshui Miao, In search of Pca*2₁ phase ferroelectrics, Journal of Physics: Materials 6, 024001 (2023). Available operations: Cited by: On Google:

	128. (2023h) Jun-Hui Yuan, Yun-Lai Zhu, Wen-Yu Fang, Sheng-Xin Yang, Kan-Hao Xue, Na Bai, Lei Ye, Xiaomin Cheng*, and Xiangshui Miao, Two-Dimensional AMgB (A = Na, K; B = P, As, Sb, Bi) with Promising Optoelectronic and Thermoelectric Performances, ACS Applied Electronic Materials 5, 1405 (2023). Impact Factor: 4.494 Available operations: Cited by: On Google:

	127. (2023g) Hanli Cui, Shengxin Yang, Kan-Hao Xue, Jinhai Huang, and Xiangshui Miao, On the self-consistency of DFT-1/2, Journal of Chemical Physics 158*, 094103 (2023). Available operations: Cited by: On Google:

	126. (2023f) Fan Ye, Kan-Hao Xue*, Heng Yu, Shengxin Yang, Jun-Hui Yuan, Rongchuan Gu, Ming Xu, and Xiangshui Miao, In quest of low‐leakage dynamic random access memory enabled by doped TiO₂ dielectrics, Advanced Theory and Simulations 6, 2200614 (2023). Available operations: Cited by: On Google:

	125. (2023e) Xueqiang Xiang, Li-Heng Li, Chen Chen, Guangwei Xu, Fangzhou Liang, Pengju Tan, Xuanze Zhou, Weibing Hao, Xiaolong Zhao, Haiding Sun, Kan-Hao Xue, Nan Gao, and Shibing Long, Unintentional doping effect in Si-doped MOCVD β-Ga₂O₃ films: Shallow donor states, Science China Materials 66, 748 (2023). Impact Factor: 8.640 Available operations: Cited by: On Google:

	124. (2023d) Jun-Hui Yuan, Kan-Hao Xue, and Xiangshui Miao, Two-dimensional ABC₃ (A = Sc, Y; B = Al, Ga, In; C = S, Se, Te) with intrinsic electric field for photocatalytic water splitting, International Journal of Hydrogen Energy 48, 5929 (2023). Impact Factor: 7.139 Available operations: Cited by: On Google:

	123. (2023c) Jun-Hui Yuan, Ge-Qi Mao, Kan-Hao Xue*, Na Bai, Chengxu Wang, Yan Cheng, Hangbing Lyu, Huajun Sun, Xingsheng Wang, and Xiangshui Miao, Ferroelectricity in HfO₂ from a Coordination Number Perspective, Chemistry of Materials 35, 94 (2023). Impact Factor: 10.508 Available operations: Cited by: On Google:

	122. (2023b) Na Bai, Kan-Hao Xue, Jinhai Huang, Jun-Hui Yuan, Wenlin Wang, Ge-Qi Mao, Lanqing Zou, Shengxin Yang, Hong Lu, Huajun Sun, and Xiangshui Miao, Designing Wake-Up Free Ferroelectric Capacitors Based on the HfO₂/ZrO₂ Superlattice Structure, Advanced Electronic Materials 9, 2200737 (2023). Impact Factor: 7.633 Available operations: Cited by: On Google:

	121. (2023a) Hua-Nan Liang, Na Bai, Lan-Qing Zou, Hua-Jun Sun, Kan-Hao Xue*, Wei-Ming Cheng, Hong Lu, and Xiang-Shui Miao, Resistive Switching Characteristics of HfO_x-Based Memristor by Inserting GeTe Layer, IEEE Transactions on Electron Devices 70, 83 (2023). Impact Factor: 3.221 Available operations: Cited by: On Google:

	120. (2022s) Hanli Cui, Jun-Hui Yuan, Kan-Hao Xue, and Xiangshui Miao, Tuning the Electronic and Mechanical Properties of Kagome Graphene via Hydrogenation, Journal of Physical Chemistry C 126*, 21426 (2022). Impact Factor: 4.177 Available operations: Cited by: On Google:

	119. (2022r) Qing Wan, Changjin Wan, Huaqiang Wu, Yuchao Yang, Xiaohe Huang, Peng Zhou, Lin Chen, Tian-Yu Wang, Yi Li, Kan-Hao Xue, Yu-Hui He, Xiang-Shui Miao, Xi Li, Chenchen Xie, Houpeng Chen, Zhitang Song, Hong Wang, Yue Hao, Junyao Zhang, Jia Huang, Zheng Yu Ren, Li Qiang Zhu, Jianyu Du, Chen Ge, Yang Liu, Guanglong Ding, Ye Zhou, Su-Ting Han, Guosheng Wang, Xiao Yu, Bing Chen, Zhufei Chu, Lunyao Wang, Yinshui Xia, Chen Mu, Feng Lin, Chixiao Chen, Bojun Cheng, Yannan Xing, Weitao Zeng, Hong Chen, Lei Yu, Giacomo Indiveri, and Ning Qiao, 2022 roadmap on neuromorphic devices and applications research in China, Neuromorphic Computing and Engineering 2, 042501 (2022). Available operations: Cited by: On Google:

	118. (2022q) Nan Feng, Jian Han, Changpeng Lin, Zhengwei Ai, Chuwen Lan, Ke Bi, Yuanhua Lin, Kan-Hao Xue, and Ben Xu*, Anti-Jahn-Teller effect induced ultrafast insulator to metal transition in perovskite BaBiO₃, npj Computational Materials 8, 226 (2022). Impact Factor: 12.256 Available operations: Cited by: On Google:

	117. (2022p) Xiaoxin Liu, Lanqing Zou, Chenyang Huang, Na Bai, Kanhao Xue, Huajun Sun, and Xiangshui Miao, Analog Memristor-Based Dynamic Programmable Analog Filter, Journal of Physics: Conference Series 2356*, 012008 (2022). Available operations: Cited by: On Google:

	116. (2022o) Li Li, Zuopai Zhou, Na Bai, Tao Wang, Kan-Hao Xue, Huajun Sun, Qiang He, Weiming Cheng, and Xiangshui Miao, Naive Bayes classifier based on memristor nonlinear conductance, Microelectronics Journal 129*, 105574 (2022). Impact Factor: 1.992 Available operations: Cited by: On Google:

	115. (2022n) Li Yao, Kan-Hao Xue, Haoyu Tong, Chao Chen, Guangda Niu, Wenlong Yang, and Jiang Tang, Dimensional Control of Chiral Antimony Halide Compounds for Enhanced Circular Dichroism, Crystal Growth & Design 22, 5552 (2022). Impact Factor: 4.010 Available operations: Cited by: On Google:

	114. (2022m) Li-Heng Li, Kan-Hao Xue*, Jun-Hui Yuan, Ge-Qi Mao, and Xiangshui Miao, Hafnia for analog memristor: Influence of stoichiometry and crystalline structure, Physical Review Materials 6, 084603 (2022). Impact Factor: 3.98 Available operations: Cited by: On Google:

	113. (2022l) Xinyu Huang, Liheng Li, Shuaifei Zhao, Lei Tong, Zheng Li, Zhuiri Peng, Runfeng Lin, Li Zhou, Chang Peng, Kan-Hao Xue, Lijuan Chen, Gary J. Cheng, Zhu Xiong, and Lei Ye*, MOF-Like 3D Graphene-Based Catalytic Membrane Fabricated by One-Step Laser Scribing for Robust Water Purification and Green Energy Production, Nano-Micro Letters 14, 174 (2022). Impact Factor: 23.655 Available operations: Cited by: On Google:

	112. (2022k) Shengxin Yang, Xiaobi Wang, Yongfeng Liu, Jia Wu, Wenhong Zhou, Xiangshui Miao, Li Huang, and Kan-Hao Xue, Enabling ab initio material design of InAs/GaSb superlattices for infrared detection, Physical Review Applied 18, 024058 (2022). Impact Factor: 4.931 Available operations: Cited by: On Google:

	111. (2022j) Ge-Qi Mao, Zhao-Yi Yan, Kan-Hao Xue*, Zhengwei Ai, Shengxin Yang, Hanli Cui, Jun-Hui Yuan, Tian-Ling Ren, and Xiangshui Miao, DFT-1/2 and shell DFT-1/2 methods: electronic structure calculation for semiconductors at LDA complexity, Journal of Physics: Condensed Matter 34, 403001 (2022). Impact Factor: 2.745 Available operations: Cited by: On Google:

	110. (2022i) Yiqin Gong, Fan Ye, Qiliang Zhu, Wei Yan, Jianhua Shen, Kan-Hao Xue, Yihua Zhu, and Chunzhong Li, Highly stable halide perovskites for photocatalysis via multi-dimensional structure design and in situ* phase transition, Dalton Transactions 51, 11316 (2022). Impact Factor: 4.569 Available operations: Cited by: On Google:

	109. (2022h) Hanli Cui, Shengxin Yang, Jun-Hui Yuan, Li-Heng Li, Fan Ye, Jinhai Huang, Kan-Hao Xue, and Xiangshui Miao, Shell DFT-1/2 method towards engineering accuracy for semiconductors: GGA versus LDA, Computational Materials Science 213, 111669 (2022). Impact Factor: 3.572 Available operations: Cited by: On Google:

	108. (2022g) Chengxu Wang, Ge-Qi Mao, Menghua Huang, Enming Huang, Zichong Zhang, Junhui Yuan, Weiming Cheng, Kan-Hao Xue, Xingsheng Wang*, and Xiangshui Miao, HfO_x/AlO_y Superlattice-Like Memristive Synapse, Advanced Science 9, 2201446 (2022). Impact Factor: 17.521 Available operations: Cited by: On Google: Copyright (2022) the authors, published by John Wiley & Sons, Inc., NJ, USA. This article is an OPEN ACCESS article and may be found at https://onlinelibrary.wiley.com/doi/10.1002/advs.202201446.

	107. (2022f) Yi-Fan Lu, Hao-Yang Li, Yi Li, Li-Heng Li, Tian-Qing Wan, Ling Yang, Wen-Bing Zuo, Kan-Hao Xue*, and Xiang-Shui Miao, A High-Performance Ag/TiN/HfO_x/HfO_y/HfO_x/Pt Diffusive Memristor for Calibration-Free True Random Number Generator, Advanced Electronic Materials 8, 202200202 (2022). Impact Factor: 7.633 Available operations: Cited by: On Google:

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