WannierTools

More examples and a Forum for WannierTools

Authors and contributors

WannierTools was initialized by QuanSheng Wu (EPFL CH) and Shengnan Zhang (EPFL CH) at IOP CAS Beijing in 2012. Now, it's an open-source software, there are serveral contributors including

Changming Yue (UniFR CH): symmetrization of Wannier tight-binding Hamiltonian.
Yifei Guan (EPFL CH): Landau level calculation.
Tiantian Zhang (Tokyo Institute of Technology): LOTO correction in phonon systems.
Yi Liu (BNU Beijing): Ruge-Kutta integration.

Pull down the package

git clone https://github.com/quanshengwu/wannier_tools.git

Brief introductions

We present an open-source software package WannierTools, a software for investigation of novel topological materials. This code works in the tight-binding framework, which can be generated by another software package Wannier90. It can help to classify the topological phase of a given materials by calculating the Wilson loop, and can get the surface state spectrum which is detected by angle resolved photoemission (ARPES) and in scanning tunneling microscopy (STM) experiments . It also identifies positions of Weyl/Dirac points and nodal line structures, calculates the Berry phase around a closed momentum loop and Berry curvature in a part of the Brillouin zone(BZ). Besides, WannierTools also can calculate ordinary magnetoresistance for non-magnetic metal and semimetal using Boltzmann transport theory, calculate Landau level spectrum with given magnetic field direction and strength, and get unfolded energy spectrum from a supercell calculation.

License and Citation

WannierTools was released under GPL V3. If you use our code for your research, please cite it properly, like “ The surface spectrums or Berry curvature, Wilson loop, Weyl/Dirac points, Nodal line, Chirality et al. are calculated by the software package WannierTools~\cite{Wu2017}. "

Please use WannierTools instead of "wannier_tools" , "wannier-tools" or WannierTool" when you cite our software.

For the surface state calculation, please also cite {Sancho1985}.

For the Wilson loop calculation, please also cite PhysRevB.84.075119 and PhysRevB.83.035108.

For magnetoresistance calculation, please cite Magnetoresistance from Fermi surface topology, ShengNan Zhang, QuanSheng Wu, Yi Liu, and Oleg V. Yazyev, Phys. Rev. B 99, 035142 (2019)

Reference

@article{WU2017,
title = "WannierTools : An open-source software package for novel topological materials",
journal = "Computer Physics Communications",
volume = "224",
pages = "405 - 416",
year = "2018",
doi = "https://doi.org/10.1016/j.cpc.2017.09.033",
url = "http://www.sciencedirect.com/science/article/pii/S0010465517303442",
issn = "0010-4655",
preprint = "arXiv:1703.07789",
author = "QuanSheng Wu and ShengNan Zhang and Hai-Feng Song and Matthias Troyer and Alexey A. Soluyanov",
keywords = "Novel topological materials, Topological number, Surface state, Tight-binding model"
}

Sancho1985: Highly convergent schemes for the calculation of bulk and surface Green functions, M P Lopez Sancho, J M Lopez Sancho, J M L Sancho and J Rubio, J.Phys.F.Met.Phys.15(1985)851-858

Citations

Full list of citations from the ADS Databases

Non-Abelian band topology in noninteracting metals, QuanSheng Wu, Alexey A. Soluyanov, and Tomas Bzdusek, Science 365, 1273 (2019)
Phonon-Induced Topological Transition to a Type-II Weyl Semimetal, Lin-Lin Wang, Na Hyun Jo, Yun Wu, QuanSheng Wu, Adam Kaminski, Paul C. Canfield, Duane D. Johnson, [arXiv:1703.07292] (https://128.84.21.199/abs/1703.07292)
Unique topological surface states of full-Heusler topological crystalline insulators, Anh Pham and Sean Li, Phys. Rev. B 95, 115124 (2017)
Saddle-like topological surface states on the TT'X family of compounds (T, T' = Transition metal, X= Si, Ge) Bahadur Singh, Xiaoting Zhou, Hsin Lin, Arun Bansil, [arXiv:1703.04048] (https://arxiv.org/abs/1703.04048)
Hidden Weyl points in centrosymmetric paramagnetic metals, Dominik Gresch, QuanSheng Wu, Georg W Winkler and Alexey A Soluyanov, New J. Phys. 19 (2017) 035001
Topological semimetal to insulator quantum phase transition in the Zintl compounds Ba2X(X=Si,Ge), Ziming Zhu, Mingda Li, and Ju Li, Phys. Rev. B 94, 155121, (2016)
Heavy Weyl fermion state in CeRu4Sn6, Yuanfeng Xu, Changming Yue, Hongming Weng, Xi Dai, arXiv:1608.04602,Phys. Rev. X 7, 011027 (2017)
Triple Point Topological Metals Ziming Zhu, Georg W. Winkler, QuanSheng Wu, Ju Li, Alexey A. Soluyanov arXiv:1605.04653 Phys. Rev. X 6, 031003 – Published 7 July 2016.
Fermi arcs and their topological character in the candidate type-II Weyl semimetal MoTe2, A. Tamai, Q. S. Wu, I. Cucchi, F. Y. Bruno, S. Ricco, T.K. Kim, M. Hoesch, C. Barreteau, E. Giannini, C. Bernard, A. A. Soluyanov, F. Baumberger arXiv:1604.08228 Phys. Rev. X 6, 031021 (2016)
Nodal-chain metals, Tomáš Bzdušek, QuanSheng Wu, Andreas Rüegg, Manfred Sigrist, Alexey A. Soluyanov arXiv:1604.03112, 2016 Nature (2016) doi:10.1038/nature19099.
Surface states and bulk electronic structure in the candidate type-II Weyl semimetal WTe2, F. Y. Bruno, A. Tamai, Q. S. Wu, I. Cucchi, C. Barreteau, A. de la Torre, S. McKeown Walker, S. Riccò, Z. Wang, T. K. Kim, M. Hoesch, M. Shi, N. C. Plumb, E. Giannini, A. A. Soluyanov, F. Baumberger arXiv:1604.02411, 2016
Topological Phases in InAs1−xSbx: From Novel Topological Semimetal to Majorana Wire, Georg W. Winkler, QuanSheng Wu, Matthias Troyer, Peter Krogstrup, Alexey A. Soluyanov arxiv:1602.07001, 2016
Type-II Weyl semimetals, Alexey A. Soluyanov, Dominik Gresch, Zhijun Wang, QuanSheng Wu, Matthias Troyer, Xi Dai & B. Andrei Bernevig, Nature 527, 495–498 (26 November 2015)
Topologically nontrivial electronic states in CaSn3 Sunny Gupta, Rinkle Juneja, Ravindra Shinde, and Abhishek K. Singha) Journal of Applied Physics 121, 214901 (2017); http://dx.doi.org/10.1063/1.4984262
Transition between strong and weak topological insulator in ZrTe5 and HfTe5 Zongjian Fan , Qi-Feng Liang , Y. B. Chen, Shu-Hua Yao & Jian Zhou http://www.nature.com/articles/srep45667
Hidden Weyl points in centrosymmetric paramagnetic metals Dominik Gresch1,3, QuanSheng Wu1, Georg W Winkler1 and Alexey A Soluyanov1,2 http://iopscience.iop.org/article/10.1088/1367-2630/aa5de7
New Group V Elemental Bilayers: A Tunable Structure Model with 4,6,8-atom Rings Xiangru Kong, Linyang Li, Ortwin Leenaerts, Xiong-jun Liu, François M. Peeters https://arxiv.org/abs/1703.03550
Hybrid Dirac Semimetal in CaAgBi Materials Family Cong Chen, Shan-Shan Wang, Lei Liu, Zhi-Ming Yu, Xian-Lei Sheng, Ziyu Chen, Shengyuan A. Yang https://arxiv.org/abs/1706.03915
Multiple types of topological fermions in transition metal silicides Peizhe Tang, Quan Zhou, Shou-Cheng Zhang https://arxiv.org/abs/1706.03817
Novel Spin-Orbit Dirac Point in Monolayer HfGeTe
Shan Guan, Ying Liu, Zhi-Ming Yu, Shan-Shan Wang, Yugui Yao, Shengyuan A. Yang https://arxiv.org/abs/1706.08692
Quantum anomalous Hall effect in stable 1T-YN2 monolayer with a large nontrivial band gap and high Chern number Xiangru Kong, Linyang Li, Ortwin Leenaerts, Weiyang Wang, Xiong-Jun Liu, François M. Peeters https://arxiv.org/abs/1707.01841
Extremely large magnetoresistance and Kohler's rule in PdSn4: a complete study of thermodynamic, transport and band structure properties Na Hyun Jo, Yun Wu, Lin-Lin Wang, Peter P. Orth, Savannah S. Downing, Soham Manni, Dixiang Mou, Duane D. Johnson, Adam Kaminski, Sergey L. Bud'ko, Paul C. Canfield https://arxiv.org/abs/1707.05706
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.96.024106 Ternary Weyl semimetal NbIrTe4 proposed from first-principles calculation Lei Li, Huan-Huan Xie, Jing-Sheng Zhao, Xiao-Xiong Liu, Jian-Bo Deng, Xian-Ru Hu, and Xiao-Ma TaoPhys. Rev. B 96, 024106 – Published 18 July 2017
A new strongly topological node-line semimetal β-PbO2 Zhenwei Wang and Guangtao Wang https://doi.org/10.1016/j.physleta.2017.06.041
Robust Large Gap Quantum Spin Hall Insulators in Methyl-functionalized III-Bi Buckled Honeycombs Qing Lu, Busheng Wang, Xiang-Rong Chen, Wu-Ming Liu https://arxiv.org/abs/1707.07120
Ferromagnetic Type-II Weyl Semimetal in Pyrite Chromium Dioxide R. Wang, Y. J. Jin, J. Z. Zhao, Z. J. Chen, Y. J. Zhao, H. Xu https://arxiv.org/abs/1707.08899v1
Robustness of topological states with respect to lattice instability in the nonsymmorphic topological insulator KHgSb
Chen, T.-T. Zhang, C.-J. Yi, Z.-D. Song, W.-L. Zhang, T. Zhang, Y.-G. Shi, H.-M. Weng, Z. Fang, P. Richard, and H. Ding Phys. Rev. B 96, 064102 – Published 4 August 2017 https://doi.org/10.1103/PhysRevB.96.064102
Two-dimensional Hexagonal M3C2 (M = Zn, Cd, Hg) Monolayer: Novel Quantum Spin Hall Insulators and Dirac Cone Materials Peng-Fei Liu , Liujiang Zhou , Sergei Tretiak and Li-Ming Wu DOI: 10.1039/C7TC02739G (Paper) J. Mater. Chem. C, 2017, Accepted Manuscript
Topological Type-II Nodal Line Semimetal and Dirac Semimetal Statein Stable Kagome Compound Mg3Bi2 Xiaoming Zhang, Lei Jin, Xuefang Dai, and Guodong Liu, School of Materials Science and Engineering, Hebei University of Technology, Tianjin 300130, China http://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.7b02129
A nonmagnetic topological Weyl semimetal in quaternary Heusler compound CrAlTiV Xiaoxiong Liu, Lei Li, Yvgui Cui, Jianbo Deng, and Xiaoma Tao http://dx.doi.org/10.1063/1.4986155 Appl. Phys. Lett. 111, 122104 (2017)