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Iron-based superconductors and related
A. M. Zhang, K. Liu, J. H. Xiao, J. B. He, D. M. Wang, G. F. Chen, B. Normand, and Q. M. Zhang, Vacancy ordering and phonon spectrum of the iron-based superconductor K0.8Fe1.6Se2, Phys. Rev. B 85, 024518 (2012).
Kai Liu and Zhong-Yi Lu, First-principles study of Fe-based superconductors: A comparison of screened hybrid functional with gradient corrected functional, Comp. Mater. Sci. 55, 284 (2012).
Kai Liu, Zhong-Yi Lu, and Tao Xiang, Atomic and electronic structures of FeSe monolayer and bilayer thin films on SrTiO3(001): First-principles study, Phys. Rev. B 85, 235123 (2012).
A. M. Zhang, K. Liu, J. B. He, D. M. Wang, G. F. Chen, B. Normand, and Q. M. Zhang, Effect of iron content and potassium substitution in A0.8Fe1.6Se2(A=K, Rb, Tl) superconductors: A Raman scattering investigation, Phys. Rev. B 86, 134502 (2012).
An-min Zhang, Tian-long Xia, Kai Liu, Wei Tong, Zhao-rong Yang, and Qing-ming Zhang, Superconductivity at 44 K in K intercalated FeSe system with excess Fe, Sci. Rep. 3, 1216 (2013).
Qian-Qian Ye, Kai Liu, and Zhong-Yi Lu, Influence of spin-phonon coupling on antiferromagnetic spin fluctuations in FeSe under pressure: First-principles calculations with van der Waals corrections, Phys. Rev. B 88, 205130 (2013).
Kai Liu, Bing-Jing Zhang, and Zhong-Yi Lu, First-principles study of magnetic frustration in FeSe epitaxial films on SrTiO3, Phys. Rev. B 91, 045107 (2015).
Kai Liu, Miao Gao, Zhong-Yi Lu, and Tao Xiang, First-principles study of FeSe epitaxial films on SrTiO3, Chin. Phys. B 24, 117402 (2015). (Invited review)
Xian Zhang, Kai Liu, Jian-Qiao He, Hui Wu, Qing-Zhen Huang, Jian-Hua Lin, Zhong-Yi Lu, and Fu-Qiang Huang, Antiperovskite Chalco-Halides Ba3(FeS4)Cl, Ba3(FeS4)Br, and Ba3(FeSe4)Br with Spin Super-Super Exchange, Sci. Rep. 5, 15190 (2015). (FeS and FeSe based materials, not superconducting)
Lin Zhao, Aiji Liang, Dongna Yuan, Yong Hu, Defa Liu, Jianwei Huang, Shaolong He, Bing Shen, Yu Xu, Xu Liu, Li Yu, Guodong Liu, Huaxue Zhou, Yulong Huang, Xiaoli Dong, Fang Zhou, Kai Liu, Zhongyi Lu, Zhongxian Zhao, Chuangtian Chen, Zuyan Xu, and X. J. Zhou, Common electronic origin of superconductivity in (Li,Fe)OHFeSe bulk superconductor and single-layer FeSe/SrTiO3 films, Nat. Commun. 7, 10608 (2016).
Kai Liu, Zhong-Yi Lu, and Tao Xiang, Nematic antiferromagnetic states in bulk FeSe, Phys. Rev. B 93, 205154 (2016).
Yong Tian, Yixiu Kong, Kai Liu, Anmin Zhang, Rui He, and Qingming Zhang, Magnetic evolution of itinerant ferromagnetism and interlayer antiferromagnetism in cerium doped LaCo2P2 crystals, Physica B 512, 75 (2017). (same structure as AFe2As2)
Bing-Jing Zhang, Kai Liu, and Zhong-Yi Lu, Tuning the magnetism of the top-layer FeAs on BaFe2As2(001): First-principles study, Phys. Rev. B 97, 165105 (2018).
Cuprate superconductors
Kai Liu, Zhong-Yi Lu, and Tao Xiang, Electronic structures of quasi-one-dimensional cuprate superconductors Ba2CuO3+δ, Phys. Rev. Mater. 3, 044802 (2019).
Cr-based superconductors
Y. J. Li, W. Wu, K. Liu, Z.-H. Yu, D. S. Wu, Y. T. Shao, S. H. Na, G. Li, P. Zheng, T. Xiang, and J. L. Luo, Superconductivity at 4.6 K in the Cr-based nitride La3Cr10-xN11, EPL 128, 67002 (2019).
Wei Wu, Kai Liu, Yanjie Li, Zhenhai Yu, Desheng Wu, Yuting Shao, Shihang Na, Gang Li, Ruizhen Huang, Tao Xiang, and Jianlin Luo, Superconductivity in chromium nitrides Pr3Cr10-xN11 with strong electron correlations, Nat. Sci. Rev. 7, 21 (2020).
Magnetic materials
Huan-Cheng Yang, Ben-Chao Gong, Kai Liu, and Zhong-Yi Lu, The melilite-type compound (Sr1-x,Ax)2MnGe2S6O (A = K, La) being a room temperature ferromagnetic semiconductor, Sci. Bull. 63, 887 (2018).
Huan-Cheng Yang, Kai Liu, and Zhong-Yi Lu, Magnetic interactions in a proposed diluted magnetic semiconductor (Ba1-xKx)(Zn1-yMny)2P2, Chin. Phys. B 27, 067103 (2018).
Shangjie Tian, Jian-Feng Zhang, Chenghe Li, Tianping Ying, Shiyan Li, Xiao Zhang, Kai Liu, and Hechang Lei, Ferromagnetic van der Waals Crystal VI3, J. Am. Chem. Soc. 141, 5326 (2019).
Huan-Cheng Yang, Ben-Chao Gong, Kai Liu, and Zhong-Yi Lu, Quasi-degenerate magnetic states in α-RuCl3, J. Phys.: Condens. Matter 31, 025803 (2019).
Yi-Meng Wang, Jian-Feng Zhang, Cheng-He Li, Xiao-Li Ma, Jian-Ting Ji, Feng Jin, He-Chang Lei, Kai Liu, Wei-Lu Zhang, and Qing-Ming Zhang, Raman scattering study of magnetic layered MPS3 crystals (M=Mn, Fe, Ni), Chin. Phys. B 28, 056301 (2019).
Xiao-Le Qiu, Jian-Feng Zhang, Zhong-Yi Lu, and Kai Liu, Manipulating the electronic and magnetic properties of monolayer electride Ca2N by hydrogenation, J. Phys. Chem. C 123, 24698 (2019).
Charge Density Wave (CDW) materials and Electron-phonon coupling
Kui Jin and Kai Liu, What drives superconductivity in Pt-doped IrTe2? Sci. Bull. 60, 822 (2015).
Yong Tian, Anmin Zhang, Kai Liu, Jianting Ji, Jianzhong Liu, Xiyu Zhu, Hai-Hu Wen, Feng Jin, Xiaoli Ma, Rui He, and Qing-Ming Zhang, Raman scattering in superconducting NdO1-xFxBiS2 crystals, Supercond. Sci. Technol. 29, 015007 (2016).
Hechang Lei, Kai Liu, Jun-ichi Yamaura, Sachiko Maki, Youichi Murakami, Zhong-Yi Lu, and Hideo Hosono, Strong charge density wave fluctuation and sliding state in PdTeI with quasi-one-dimensional PdTe chains, Phys. Rev. B (Ripid Commun.) 93, 121101 (2016).
Shanshan Sun, Kai Liu, and Hechang Lei, Type-I superconductivity in KBi2 single crystals, J. Phys.: Condens. Matter 28, 085701 (2016).
Rui Lou, Yipeng Cai, Zhonghao Liu, Tian Qian, Lingxiao Zhao, Yu Li, Kai Liu, Zhiqing Han, Dandan Zhang, Junbao He, Genfu Chen, Hong Ding, and Shancai Wang, Interplay between multiple charge-density waves and the relationship with superconductivity in PdxHoTe3, Phys. Rev. B 93, 115133 (2016).
Ge He, Yanli Jia, Xingyuan Hou, Zhongxu Wei, Haidong Xie, Zhenzhong Yang, Jinan Shi, Jie Yuan, Lei Shan, Beiyi Zhu, Hong Li, Lin Gu, Kai Liu, Tao Xiang, and Kui Jin, Anisotropic electron-phonon coupling in the spinel oxide superconductor LiTi2O4, Phys. Rev. B 95, 054510 (2017).
Heavy Fermion system
Bing Shen, Li Yu, Kai Liu, Shou-Peng Lyu, Xiao-Wen Jia, E. D. Bauer, J. D. Thompson, Yan Zhang, Chen-Lu Wang, Cheng Hu, Ying Ding, Xuan Sun, Yong Hu, Jing Liu, Qiang Gao, Lin Zhao, Guo-Dong Liu, Zu-Yan Xu, Chuang-Tian Chen, Zhong-Yi Lu, and X. J. Zhou, Electronic structure of heavy fermion system CePt2In7 from angle-resolved photoemission spectroscopy, Chin. Phys. B 26, 077401 (2017).
Ferroelectric and multiferroic materials
An-Min Zhang, Kai Liu, Jian-Ting Ji, Chang-Zhen He, Yong Tian, Feng Jin, and Qing-Ming Zhang, Raman phonons in multiferroic FeVO4 crystals, Chin. Phys. B 24, 126301 (2015).
Feng Jin, Anmin Zhang, Jianting Ji, Kai Liu, Le Wang, Youguo Shi, Yong Tian, Xiaoli Ma, and Qingming Zhang, Raman phonons in the ferroelectric-like metal LiOsO3, Phys. Rev. B 93, 064303 (2016).
Extremely large magnetoresistance (XMR) materials
Peng-Jie Guo, Huan-Cheng Yang, Bing-Jing Zhang, Kai Liu, and Zhong-Yi Lu, Charge compensation in extremely large magnetoresistance materials LaSb and LaBi revealed by first-principles calculations, Phys. Rev. B 93, 235142 (2016).
Shanshan Sun, Qi Wang, Peng-Jie Guo, Kai Liu, and Hechang Lei, Large magnetoresistance in LaBi: origin of field-induced resistivity upturn and plateau in compensated semimetals, New J. Phys. 18, 082002 (2016).
Yi-Yan Wang, Qiao-He Yu, Peng-Jie Guo, Kai Liu, and Tian-Long Xia, Resistivity plateau and extremely large magnetoresistance in NbAs2and TaAs2, Phys. Rev. B (Ripid Commun.) 94, 041103 (2016).
Feng Jin, Xiaoli Ma, Pengjie Guo, Changjiang Yi, Le Wang, Yiyan Wang, Qiaohe Yu, Jieming Sheng, Anmin Zhang, Jianting Ji, Yong Tian, Kai Liu, Youguo Shi, Tianlong Xia, and Qingming Zhang, Raman scattering study of large magnetoresistance semimetals TaAs2 and NbAs2, Phys. Rev. B 94, 094302 (2016).
L.-K. Zeng, R. Lou, D.-S. Wu, Q. N. Xu, P.-J. Guo, L.-Y. Kong, Y.-G. Zhong, J.-Z. Ma, B.-B. Fu, P. Richard, P. Wang, G. T. Liu, L. Lu, Y.-B. Huang, C. Fang, S.-S. Sun, Q. Wang, L. Wang, Y.-G. Shi, H. M. Weng, H.-C. Lei, K. Liu, S.-C. Wang, T. Qian, J.-L. Luo, and H. Ding, Compensated Semimetal LaSb with Unsaturated Magnetoresistance, Phys. Rev. Lett. 117, 127204 (2016).
Xiaoli Ma, Pengjie Guo, Changjiang Yi, Qiaohe Yu, Anmin Zhang, Jianting Ji, Yong Tian, Feng Jin, Yiyan Wang, Kai Liu, Tianlong Xia, Youguo Shi, and Qingming Zhang, Raman scattering in the transition-metal dichalcogenides of 1T’-MoTe2, Td-MoTe2, and Td-WTe2, Phys. Rev. B 94, 214105 (2016).
R. Lou, B.-B. Fu, Q. N. Xu, P.-J. Guo, L.-Y. Kong, L.-K. Zeng, J.-Z. Ma, P. Richard, C. Fang, Y.-B. Huang, S.-S. Sun, Q. Wang, L. Wang, Y.-G. Shi, H. C. Lei, K. Liu, H. M. Weng, T. Qian, H. Ding, and S.-C. Wang, Evidence of topological insulator state in the semimetal LaBi, Phys. Rev. B 95, 115140 (2017).
Qiao-He Yu, Yi-Yan Wang, Rui Lou, Peng-Jie Guo, Sheng Xu, Kai Liu, Shancai Wang, and Tian-Long Xia, Magnetoresistance and Shubnikov-de Haas oscillation in YSb, Europhys. Lett. 119, 17002 (2017).
Peng-Jie Guo, Huan-Cheng Yang, Kai Liu, and Zhong-Yi Lu, Theoretical study of the pressure-induced topological phase transition in LaSb, Phys. Rev. B (Ripid Commun.) 96, 081112 (2017).
R. Lou, Y. F. Xu, L.-X. Zhao, Z.-Q. Han, P.-J. Guo, M. Li, J.-C. Wang, B.-B. Fu, Z.-H. Liu, Y.-B. Huang, P. Richard, T. Qian, K. Liu, G.-F. Chen, H. M. Weng, H. Ding, and S.-C. Wang, Observation of open-orbit Fermi surface topology in the extremely large magnetoresistance semimetal MoAs2, Phys. Rev. B (Ripid Commun.) 96, 241106 (2017).
Yi-Yan Wang, Hongyun Zhang, Xiao-Qin Lu, Lin-Lin Sun, Sheng Xu, Zhong-Yi Lu, Kai Liu, Shuyun Zhou, and Tian-Long Xia, Extremely large magnetoresistance and electronic structure of TmSb, Phys. Rev. B 97, 085137 (2018).
Qi Wang, Peng-Jie Guo, Shanshan Sun, Chenghe Li, Kai Liu, Zhong-Yi Lu, and Hechang Lei, Extremely large magnetoresistance and high-density Dirac-like fermions in ZrB2, Phys. Rev. B 97, 205105 (2018).
Jian-Feng Zhang, Peng-Jie Guo, Miao Gao, Kai Liu, and Zhong-Yi Lu, First-principles study of electron-phonon coupling and magnetoresistance of LaBi under pressure, Phys. Rev. B 101, 155139 (2020).
Xiao-Qin Lu, Peng-Jie Guo, Jian-Feng Zhang, Kai Liu, and Zhong-Yi Lu, SrPd, a candidate material with extremely large magnetoresistance, Phys. Rev. B 101, 165115 (2020).
Topological materials
Rui Lou, Zhonghao Liu, Wencan Jin, Haifeng Wang, Zhiqing Han, Kai Liu, Xueyun Wang, Tian Qian, Yevhen Kushnirenko, Sang-Wook Cheong, Richard M. Osgood, Jr., Hong Ding, and Shancai Wang, Sudden gap closure across the topological phase transition in Bi2−xInxSe3, Phys. Rev. B 92, 115150 (2015).
Peng-Jie Guo, Huan-Cheng Yang, Kai Liu, and Zhong-Yi Lu, Type-II Dirac semimetals in the YPd2Sn class, Phys. Rev. B 95, 155112 (2017).
Yi-Yan Wang, Peng-Jie Guo, Qian-He Yu, Sheng Xu, Kai Liu, and Tian-Long Xia, Magneto-transport and electronic structures of BaZnBi2, New J. Phys. 19, 123044 (2017).
Peng-Jie Guo, Huan-Cheng Yang, Kai Liu, and Zhong-Yi Lu, Triply degenerate nodal points in RRh6Ge4(R=Y, La, Lu), Phys. Rev. B 98, 045134 (2018).
Zhonghao Liu, Rui Lou, Pengjie Guo, Qi Wang, Shanshan Sun, Chenghe Li, Setti Thirupathaiah, Alexander Fedorov, Dawei Shen, Kai Liu, Hechang Lei, and Shancai Wang, Experimental observation of Dirac nodal links in centrosymmetric semimetal TiB2, Phys. Rev. X 8, 031044 (2018).
Rui Lou, Pengjie Guo, Man Li, Qi Wang, Zhonghao Liu, Shanshan Sun, Chenghe Li, Xuchuan Wu, Zilu Wang, Zhe Sun, Dawei Shen, Yaobo Huang, Kai Liu, Zhong-Yi Lu, Hecheng Lei, Hong Ding, and Shancai Wang, Experimental observation of bulk nodal lines and electronic surface states in ZrB2, npj Quantum Materials 3, 43 (2018).
Jia-Xin Yin, Songtian S. Zhang, Hang Li, Kun Jiang, Guoqing Chang, Bingjing Zhang, Biao Lian, Cheng Xiang, IIya Belopolski, Hao Zheng, Tyler A. Cochran, Su-Yang Xu, Guang Bian, Kai Liu, Tay-Rong Chang, Hsin Lin, Zhong-Yi Lu, Ziqiang Wang, Shuang Jia, Wenhong Wang, and M. Zahid Hasan, Giant and anisotropic many-body spin-orbit tunability in a strongly correlated kagome magnet, Nature 562, 91 (2018).
Sheng Xu, Jian-Feng Zhang, Yi-Yan Wang, Lin-Lin Sun, Huan Wang, Yuan Su, Xiao-Yan Wang, Kai Liu, and Tian-Long Xia, Shubnikov–de Haas and de Haas–van Alphen oscillations in the topological semimetal CaAl4, Phys. Rev. B 99, 115138 (2019).
Yan Gao, Weikang Wu, Peng-Jie Guo, Chengyong Zhong, Shenyuan A. Yang, Kai Liu, and Zhong-Yi Lu, Hexagonal supertetrahedral boron: A topological metal with multiple spin-orbit-free emergent fermions, Phys. Rev. Mater. 3, 044202 (2019).
Hao Su, Benchao Gong, Wujun Shi, Haifeng Yang, Hongyuan Wang, Wei Xia, Zhenhai Yu, Peng-Jie Guo, Jinhua Wang, Linchao Ding, Liangcai Xu, Xiaokang Li, Xia Wang, Zhiqiang Zou, Na Yu, Zengwei Zhu, Yulin Chen, Zhongkai Liu, Kai Liu, Gang Li, and Yanfeng Guo, Magnetic exchange induced Weyl state in a semimetal EuCd2Sb2, APL Mater. 8, 011109 (2020).
Topological superconductors
Jian-Feng Zhang, Peng-Jie Guo, Miao Gao, Kai Liu, and Zhong-Yi Lu, ß-RhPb2, a topological superconductor candidate, Phys. Rev. B 99, 045110 (2019).
Ning-Ning Zhao, Peng-Jie Guo, Xiao-Qin Lu, Qiang Han, Kai Liu, and Zhong-Yi Lu, Topological properties of Mo2C and W2C superconductors, Phys. Rev. B 101, 195144 (2020).
Surface physics
Kai Liu and Shiwu Gao, Excitation of Frustrated Translation and Nonadiabatic Adatom Hopping Induced by Inelastic Tunneling, Phys. Rev. Lett. 95, 226102 (2005).
Kai Liu and Shiwu Gao, Adsorbate vibration and resonance lifetime broadening of a cobalt adatom on a Cu(111) surface, Phys. Rev. B 74, 195433 (2006).
Kai Liu and Shiwu Gao, Water Adsorption on Na/Cu(111): State-Specific Coupling with Quantum Well States, J. Phys. Chem. C 116, 17613 (2012).
Hualing Zeng, Bairen Zhu, Kai Liu, Jiahe Fan, Xiaodong Cui, and Q. M. Zhang, Low-frequency Raman modes and electronic excitations in atomically thin MoS2 films, Phys. Rev. B (Ripid Commun.) 86, 241301 (2012).
Shan Dong, Anmin Zhang, Kai Liu, Jianting Ji, Y. G. Ye, X. G. Luo, X. H. Chen, Xiaoli Ma, Yinghao Jie, Changfeng Chen, Xiaoqun Wang, and Qingming Zhang, Ultralow-Frequency Collective Compression Mode and Strong Interlayer Coupling in Multilayer Black Phosphorus, Phys. Rev. Lett. 116, 087401 (2016).
Jing Xu, Li-Fang Xu, Zhen-Zhen Li, Jian-Tao Wang, Zhe-Shuai Lin, Kai Liu, Yong-Ge Cao, and Annabella Selloni, Ab Initio Study of Water Adsorption and Reactivity on the (211) Surface of Anatase TiO2, Phys. Rev. Applied 5, 064001 (2016).
Bo Peng, Yaolin Xu, Kai Liu, Xiaoqun Wang, and Fokko M. Mulder, High-performance and low-cost sodium-ion anode based on a facile black phosphorus-carbon nanocomposite, Chem. Electro. Chem. 4, 1 (2017).
Luojun Du, Qian Zhang, Benchao Gong, Mengzhou Liao, Jianqi Zhu, Hua Yu, Rui He, Kai Liu, Rong Yang, Dongxia Shi, Lin Gu, Feng Yan, Guangyu Zhang, and Qingming Zhang, Robust spin-vally polarization in commensurate MoS2/graphene heterostructures, Phys. Rev. B 97, 115445 (2018).
Bing-Jing Zhang, Kai Liu, and Zhong-Yi Lu, Tuning the magnetism of the top-layer FeAs on BaFe2As2(001): First-principles study, Phys. Rev. B 97, 165105 (2018).
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