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MagneticKP: A package for quickly constructing k⋅p models of magnetic and non-magnetic crystals

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Mendeley Data2026-04-09 收录
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We propose an efficient algorithm for constructing k⋅p effective Hamiltonians, which is much faster than previously proposed algorithms. This algorithm is implemented in MagneticKP package. The package applies to both single-valued (spinless) and double-valued (spinful) cases, and to both magnetic and nonmagnetic systems. By interfacing with SpaceGroupIrep or MSGCorep packages, it can directly output the k⋅p Hamiltonian around arbitrary momentum point and expanded to arbitrary order in k.

本文提出一种构建k·p有效哈密顿量(k⋅p effective Hamiltonian)的高效算法,其运算速度远快于此前已提出的同类算法。该算法已在MagneticKP软件包中实现。此软件包可同时适用于单值(无自旋)与双值(有自旋)情形,且兼容磁性与非磁性体系。通过与SpaceGroupIrep及MSGCorep软件包对接,该工具可直接输出任意动量点附近的k·p有效哈密顿量,并支持按k的任意阶次进行展开。

提供机构:
John Ballantyne
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