Welcome to Long Cheng's group at Hunan University. We mainly focus on the application of first-principles calculations and related methods to study charge carrier transport, thermal transport, thermoelectric transport, and electron-phonon couplings in materials. Research interests also include topological insulators, 2D Ferromagnetics, defect physics, etc.
lab openings
- postdoc: We have one to two immediate postdoc openings in the theoretical simulation of carrier transport. Candidates with experience in high-throughput calculations are a strong plus. Candidates who have their own research plans are also welcome to contact. I'm open to discussing projects of mutual interest. Potential candidates can send a CV to lcheng@hnu.edu.cn.
- graduate students with a background in physics, materials science, chemistry or related fields are welcome to get in touch. Prior experience in the related areas is NOT a must. English and experience in programming would be strong plus.
- visiting scholars are always welcome to contact Dr. Long Cheng to discuss projects of mutual interest.
- Undergraduate Research Opportunities: We are looking for highly motivated undergraduate students to join our lab. Being an interdisciplinary group, we have projects for students with different backgrounds and interests. Undergraduate students are also encouraged to publish their research results.
Teams
Long Cheng
School of Physics and Electronics,
Hunan University
Changsha, 410082, China
Email: lcheng@hnu.edu.cn
Office: A208
Education:
2011-2016, PhD, Condensed Matter Physics, Wuhan University, China
2007-2011, BS, Physics, Wuhan University, China
Employment:
11/2020-present, Professor, Hunan University, China
10/2017-11/2020, Postdoc, The University of Texas at Austin, USA
11/2016-09/2017, Postdoc, RWTH Aachen University, Germany
Gege Du
Master student, Sep. 2021 - present
Email: gegedu@hnu.edu.cn
News
10/23/2021, Long gives a talk at 2021 CPS Fall Meeting
09/10/2021, Gege Du joins the group
08/18/2021, We receive funding from the National Natural Science Foundation of China (NSFC)
07/09/2021, Long gives a talk at the Chinese Materials Conference 2021 (CMRS2021)
03/24/2021, Our paper on "Intrinsic Charge Carrier Mobility of 2D Semiconductors" has been accepted by Computational Materials Science
Publications
Google Scholar: https://scholar.google.com/citations?user=_uug9IUAAAAJ&hl=en&authuser=1
35. Long Cheng, Chenmu Zhang, Yuanyue Liu, Intrinsic Carrier Mobility of 2D Semiconductors, (submitted)
34. Chenmu Zhang, Long Cheng, Yuanyue Liu, Role of Flexural Phonons in Carrier Mobility of Two-Dimensional Semiconductors: Free Standing vs On Substrate, J. Phys.: Condens. Matter, 2021, https://doi.org/10.1088/1361-648X/abe8fa (in press)
Before 2020
33. Long Cheng, Chenmu Zhang, Yuanyue Liu, Why two-dimensional semiconductors generally have low electron mobility, Physical Review Letters 125 (17), 177701 (2020) (Highlighted as Editors’ Suggestion)
32. Chenmu Zhang, Long Cheng, Yuanyue Liu, Understanding high-field electron transport properties and strain effects of monolayer transition metal dichalcogenides, Physical Review B (2020) 102 (11), 115405
31. Long Cheng, Chenmu Zhang, Yuanyue Liu, The Optimal Electronic Structure for High-Mobility 2D Semiconductors: Exceptionally High Hole Mobility in 2D Antimony, Journal of the American Chemical Society, DOI 10.1021/jacs.9b05923(2019) (reported by “The Daily Texan”, “UT Engineering School News”, and "研之成理")
30. Long Cheng, Chenmu Zhang, Yuanyue Liu, How to Resolve a Phonon-Associated Property into Contributions of Basic Phonon Modes, Journal of Physics: Materials, 2 (2019), 045005 (Dphon code, email me if you are interested in having a copy of the code)
29. Long Cheng, Yuanyue Liu, What Limits the Intrinsic Mobility of Electrons and Holes in Two Dimensional Metal Dichalcogenides?, Journal of the American Chemical Society, 140 (2018) 17895-17900. (reported by "X-MOL" and "材料人")
28. Xingwen Yu, Long Cheng, Yuanyue Liu, Arumugam Manthiram, A Membraneless Direct Isopropanol Fuel Cell (DIPAFC) Operated with a Catalyst-Selective Principle, The Journal of Physical Chemistry C, 122 (2018) 13558-13563
27. Guohua Cao, Huijun Liu, Jinghua Liang, Long Cheng, Dengdong Fan, Zhenyu Zhang, Rhombohedral Sb2Se3 as an intrinsic topological insulator due to strong van der Waals interlayer coupling, Physical Review B 97 (2018), 075147
26. Yanguang Zhou, Jia-Yue Yang, Long Cheng, Ming Hu, Strong anharmonic phonon scattering induced giant reduction of thermal conductivity in PbTe nanotwin boundary, Physical Review B 97 (2018), 085304
25. Dengdong Fan, Huijun Liu, Long Cheng, Jinghua Liang, Peiheng Jiang, A first-principles study of the effects of electron–phonon coupling on the thermoelectric properties: a case study of the SiGe compound, Journal of Materials Chemistry A 6 (2018), 12125-12131
24. Shengying Yue+, Long Cheng+, Bolin Liao, Ming Hu, Electron-phonon interaction and superconductivity in the high-pressure cI16 phase of lithium from first-principles, Physical Chemistry Chemical Physics, 20, (2018) 27125-27130.
23. Jiayue Yang, Long Cheng, Ming Hu, Unravelling the progressive role of rattlers in thermoelectric clathrate and strategies for performance improvement: Concurrently enhancing electronic transport and blocking phononic transport, Applied Physics Letters 111 (2017), 242101
22. Jie Zhang, Huijun Liu, Long Cheng, Jie Wei, Jinghua Liang, Dengdong Fan, Peiheng Jiang, Jing Shi, Thermal conductivities of phosphorene allotropes from first-principles calculations: a comparative study, Scientific Reports 7 (2017), 1-8
21. Jie Wei, Huijun Liu, Long Cheng, Jie Zhang, Peiheng Jiang, Jinghua Liang, Dengdong Fan, Jing Shi, Molecular dynamics simulations of the lattice thermal conductivity of thermoelectric material CuInTe2, Physics Letters A 381 (2017), 1611-1614
20. Peiheng Jiang, Huijun Liu, Long Cheng, Dengdong Fan, Jie Zhang, Jie Wei, Jinghua Liang, Jing Shi, Thermoelectric properties of γ-graphyne from first-principles calculations, Carbon 113 (2017), 108-113
19. Long Cheng, Qingbo Yan, Ming Hu, The role of phonon–phonon and electron–phonon scattering in thermal transport in PdCoO2, Physical Chemistry Chemical Physics, 19 (2017) 21714-21721.
18. Long Cheng, Huijun Liu, Jinghua Liang, Jie Zhang, Jie Wei, Peiheng Jiang, Dengdong Fan, Effects of topological edge states on the thermoelectric properties of Bi nanoribbons, Physics Letters A, 381 (2017) 3167-3172.
17. Dengdong Fan, Huijun Liu, Long Cheng, Jie Zhang, Peiheng Jiang, Jie Wei, Jinghua Liang, Jing Shi, Understanding the electronic and phonon transport properties of a thermoelectric material BiCuSeO: a first-principles study, Physical Chemistry Chemical Physics 19 (2016), 12913-12920
16. Qiuya Xue, Huijun Liu, Dengdong Fan, Long Cheng, Bingyao Zhao, Jing Shi, LaPtSb: a half-Heusler compound with high thermoelectric performance, Physical Chemistry Chemical Physics 18 (2016), 17912-17916
15. Caiyu Sheng, Huijun Liu, Dengdong Fan, Long Cheng, Jie Zhang, Jie Wei, Jinghua Liang, Peiheng Jiang, Jing Shi, Predicting the optimized thermoelectric performance of MgAgSb, Journal of Applied Physics 119 (2016), 195101
14. Jinghua Liang, Long Cheng, Jie Zhang, Huijun Liu, Zhenyu Zhang, Maximizing the thermoelectric performance of topological insulator Bi 2 Te 3 films in the few-quintuple layer regime, Nanoscale 8 (2016), 8855-8862
13. Long Cheng, Huijun Liu, Jie Zhang, Jie Wei, Jinghua Liang, Peiheng Jiang, Dengdong Fan, Lin Sun, Jing Shi, High thermoelectric performance of the distorted bismuth (110) layer, Physical Chemistry Chemical Physics, 18 (2016) 17373-17379.
12. Jie Zhang, Huijun Liu, Long Cheng, Jie Wei, Jinghua Liang, Dengdong Fan, Peiheng Jiang, Lin Sun, Jing Shi, High thermoelectric performance can be achieved in black phosphorus, Journal of Materials Chemistry C 4 (2016), 991-998
11. Jie Wei, Huijun Liu, Long Cheng, Jie Zhang, Jinghua Liang, Peiheng Jiang, Dengdong Fan, Jing Shi, Tuning the carrier concentration to improve the thermoelectric performance of CuInTe2 compound, AIP Advances 5 (2015), 107230
10. Lin Sun, Peiheng Jiang, Huijun Liu, Dengdong Fan, Jinghua Liang, Jie Wei, Long Cheng, Jie Zhang, Jing Shi, Graphdiyne: A two-dimensional thermoelectric material with high figure of merit, Carbon 90 (2015), 255-259
9. Peiheng Jiang, Huijun Liu, Dengdong Fan, Long Cheng, Jie Wei, Jie Zhang, Jinghua Liang, Jing Shi, Enhanced thermoelectric performance of carbon nanotubes at elevated temperature, Physical Chemistry Chemical Physics 17 (2015), 27558-27564
8. Jinghua Liang, Long Cheng, Jie Zhang, Huijun Liu, Topological Phase Transition in Antimonene Induced by Biaxial Tensile Strain, arXiv preprint arXiv:1502.01610
7. Dengdong Fan, Huijun Liu, Long Cheng, Peiheng Jiang, Jing Shi, Xinfeng Tang, MoS2 nanoribbons as promising thermoelectric materials, Applied Physics Letters 105 (2014), 133113
6. Jie Zhang, Huijun Liu, Long Cheng, Jie Wei, Jinghua Liang, Dengdong Fan, Jing Shi, Xinfeng Tang, Qingjie Zhang, Phosphorene nanoribbon as a promising candidate for thermoelectric applications, Scientific reports 4 (2014), 1-8
5. Jie Zhang, Huijun Liu, Long Cheng, Jie Wei, Jing Shi, Xinfeng Tang, Ctirad Uher, Enhanced thermoelectric performance of a quintuple layer of Bi2Te3, Journal of Applied Physics 116 (2014), 023706
4. Jie Wei, Huijun Liu, Xiaojian Tan, Long Cheng, Jie Zhang, Dengdong Fan, Jing Shi, Xinfeng Tang, Theoretical study of the thermoelectric properties of SiGe nanotubes, RSC advances 4 (2014), 53037-53043
3. Qiang Zhang, Long Cheng, Wei Liu, Yun Zheng, Xianli Su, Hang Chi, Huijun Liu, Yonggao Yan, Xinfeng Tang, Ctirad Uher, Low effective mass and carrier concentration optimization for high performance p-type Mg2(1−x)Li2xSi0.3Sn0.7 solid solutions, Physical Chemistry Chemical Physics, 16 (2014) 23576-23583
2. Long Cheng, Huijun Liu, Jie Zhang, Jie Wei, Jinghua Liang, Jing Shi, Xinfeng Tang, Effects of van der Waals interactions and quasiparticle corrections on the electronic and transport properties of Bi2Te3, Physical Review B, 90 (2014) 085118.
1. Long Cheng, Huijun Liu, Xiaojian Tan, Jie Zhang, Jie Wei, Hongyan Lv, Jing Shi, Xinfeng Tang, Thermoelectric properties of a monolayer bismuth, The Journal of Physical Chemistry C, 118 (2014) 904-910.
Teaching
......
Codes
Dphon (Decompose phonon)
To better understand the phonon-property relation, it is a common practice to decompose the phonon-associated property into the contributions of basic phonon/vibration modes (e.g. longitudinal/transverse acoustic/optical mode), and identify the mode(s) that dominate(s) the property. The existing methods rely on labelling the phonon into one of the basic modes (BMs), however, the vibration characteristics of many phonons are different from the definitions of BMs, indicating these methods may give wrong decomposition results. Here we present a new method based on treating the phonon as a mixture of the BMs. By aligning the wave vectors and then projecting the phonon eigenvector onto the eigenvectors of the BMs, we can obtain the weights of the BMs on the given phonon, which can be used to quantify the contribution of each BM to the property. Our method is generally applicable to different kinds of phonon-related properties and to all crystal materials.
This method is published at: https://iopscience.iop.org/article/10.1088/2515-7639/ab2b7c
Email me (lcheng@hnu.edu.cn) or Prof. Yuanyue Liu (yuanyue.liu.microman@gmail.com) if you are interested in having a copy of the code.
Fundings
Fundamental Research Funds for the Central Universities, 2021-2025, 1 million Chinese yuan
National Natural Science Foundation of China (Youth Program), 2022-2024, 0.30 million Chinese yuan
© 2019