Our Mission

Qian group is focused on the development and application of materials theory to accelerate the discovery and design of novel functional materials. We develop first-principles electronic structure and atomistic simulation methods to enable predictive calculations and fundamental understandings of intriguing physical and chemical properties of quantum materials and nano materials, e.g. emergent quantum phases and coupled quantum processes, electronic, thermal, ionic, photonic, and excitonic transport.


Berry curvature memory through electrically driven stacking transitions
Jun Xiao, Ying Wang, Hua Wang, C. D. Pemmaraju, Siqi Wang, Philipp Muscher, Edbert J. Sie, Clara M. Nyby, Thomas P. Devereaux, Xiaofeng Qian, Xiang Zhang, and Aaron M. Lindenberg
Nature Physics 16, 1028-1034 (2020)
Ferroelectric nonlinear anomalous Hall effect in few-layer WTe2
Hua Wang and Xiaofeng Qian
npj Computational Materials 5, 119 (2019)
Ferroicity-driven nonlinear photocurrent switching in time-reversal invariant ferroic materials
Hua Wang and Xiaofeng Qian
Science Advances 5, eaav9743 (2019)
Light-Induced Activation of Forbidden Exciton Transition in Strongly Confined Perovskite Quantum Dots
Daniel Rossi, Hua Wang, Yitong Dong, Tian Qiao, Xiaofeng Qian, and Dong Hee Son
ACS Nano 12, 12436–12443 (2018)
Scalable and efficient Sb2S3 thin-film solar cells fabricated by close space sublimation
Liping Guo, Baiyu Zhang, Shan Li, Qian Zhang, Michael Buettner, Lin Li, Xiaofeng Qian, and Feng Yan
APL Materials 7, 041105 (2019)
Tunable Quasi‐One‐Dimensional Ribbon Enhanced Light Absorption in Sb2Se3 Thin‐film Solar Cells Grown by Close‐Space Sublimation
Liping Guo, Baiyu Zhang, Ying Qin, Dawen Li, Lin Li, Xiaofeng Qian, and Feng Yan
Solar RRL 2, 1800128 (2018)
Giant Optical Second Harmonic Generation in Two-Dimensional Multiferroics
Hua Wang and Xiaofeng Qian
Nano Letters 17, 5027-5034 (2017)
Two-dimensional multiferroics in monolayer group IV monochalcogenides
Hua Wang and Xiaofeng Qian
2D Materials 4, 015042 (2017)
Van der Waals Stacking-Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides
Junwei Liu, Hua Wang, Chen Fang, Liang Fu, and Xiaofeng Qian
Nano Letters 17, 467-475 (2017)
Optoelectronic crystal of artificial atoms in strain-textured molybdenum disulphide
Hong Li, Alex W. Contryman, Xiaofeng Qian, Sina Moeini Ardakani, Yongji Gong, Xingli Wang, Jeffery M. Weisse, Chi Hwan Lee, Jiheng Zhao, Pulickel M. Ajayan, Ju Li, Hari C. Manoharan, and Xiaolin Zheng
Nature Communications 6, 7381 (2015)
Quantum spin Hall effect in two-dimensional transition metal dichalcogenides
Xiaofeng Qian, Junwei Liu, Liang Fu, and Ju Li
Science 346, 1344-1347 (2014)