| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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A $\boldsymbol{k}$$\cdot$$\boldsymbol{p}$ Effective Hamiltonian Generator |
| Yi Jiang1,2, Zhong Fang1, and Chen Fang1,3,4* |
1Beijing National Laboratory for Condensed Matter Physics and Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
2University of Chinese Academy of Sciences, Beijing 100049, China
3Songshan Lake Materials Laboratory, Dongguan 523808, China
4Kavli Institute for Theoretical Sciences, Chinese Academy of Sciences, Beijing 100190, China
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| Cite this article: |
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Yi Jiang, Zhong Fang, and Chen Fang 2021 Chin. Phys. Lett. 38 077104 |
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Abstract A $\boldsymbol{k}$$\cdot$$\boldsymbol{p}$ effective Hamiltonian is important for theoretical analysis in condensed matter physics. Based on the kdotp-symmetry package, we develop an upgraded package named as kdotp-generator. This generator takes in arbitrary magnetic symmetries with their representations and returns symmetry-allowed $\boldsymbol{k}$$\cdot$$\boldsymbol{p}$ Hamiltonians. Using this package, we calculate $\boldsymbol{k}$$\cdot$$\boldsymbol{p}$ Hamiltonians for irreducible co-representations in 1651 magnetic space groups up to the third order, and their linear coupling to external fields including the electromagnetic field and the strain tensor. We hope that the package will facilitate related research in the future.
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Received: 21 April 2021
Published: 07 June 2021
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| PACS: |
71.20.-b
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(Electron density of states and band structure of crystalline solids)
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81.05.Zx
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(New materials: theory, design, and fabrication)
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| Fund: Supported by National Key R&D Program of China (Grant No. 2016YFA0302400), and Chinese Academy of Sciences (Grant No. XDB33000000). |
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