.. _lattice-rhl: ****************** Rhombohedral (RHL) ****************** **Pearson symbol**: hR Rhombohedral lattice is described by the class :py:class:`.RHL`. It is defined by two parameter: :math:`a` and :math:`\alpha` with primitive and conventional lattice: .. math:: \boldsymbol{a}_1 = (a\cos(\alpha / 2), -a\sin(\alpha/2), 0) \boldsymbol{a}_2 = (a\cos(\alpha / 2), a\sin(\alpha/2), 0) \boldsymbol{a}_3 = \left(\frac{\cos(\alpha)}{\cos(\alpha/2)}, 0, a\sqrt{1 - \frac{\cos^2(\alpha)}{\cos^2(\alpha/2)}}\right) Variations ========== There are two variations for rhombohedral lattice. RHL\ :sub:`1` ------------- :math:`\alpha < 90^{\circ}`. Predefined example: ``rhl1`` with :math:`a = \pi` and :math:`\alpha = 70` RHL\ :sub:`2` ------------- :math:`\alpha > 90^{\circ}`. Predefined example: ``rhl2`` with :math:`a = \pi` and :math:`\alpha = 110` Example structure ================= RHL\ :sub:`1` ------------- **Default kpath**: :math:`\Gamma-L-B_1\vert B-Z-\Gamma-X\vert Q-F-P_1-Z\vert L-P`. .. list-table:: Brillouin zone and default kpath :widths: 70 30 :header-rows: 1 * - Picture - Code * - .. figure:: rhl1_brillouin.png :target: ../../../../../_images/rhl1_brillouin.png - .. literalinclude:: rhl1_brillouin.py :language: py .. list-table:: Primitive and conventional cell :header-rows: 1 * - Picture - Code * - .. figure:: rhl1_real.png :target: ../../../../../_images/rhl1_real.png - .. literalinclude:: rhl1_real.py :language: py .. list-table:: Wigner-Seitz cell :widths: 70 30 :header-rows: 1 * - Picture - Code * - .. figure:: rhl1_wigner-seitz.png :target: ../../../../../_images/rhl1_wigner-seitz.png - .. literalinclude:: rhl1_wigner-seitz.py :language: py RHL\ :sub:`2` ------------- **Default kpath**: :math:`\Gamma-P-Z-Q-\Gamma-F-P_1-Q_1-L-Z`. .. list-table:: Brillouin zone and default kpath :widths: 70 30 :header-rows: 1 * - Picture - Code * - .. figure:: rhl2_brillouin.png :target: ../../../../../_images/rhl2_brillouin.png - .. literalinclude:: rhl2_brillouin.py :language: py .. list-table:: Primitive and conventional cell :header-rows: 1 * - Picture - Code * - .. figure:: rhl2_real.png :target: ../../../../../_images/rhl2_real.png - .. literalinclude:: rhl2_real.py :language: py .. list-table:: Wigner-Seitz cell :widths: 70 30 :header-rows: 1 * - Picture - Code * - .. figure:: rhl2_wigner-seitz.png :target: ../../../../../_images/rhl2_wigner-seitz.png - .. literalinclude:: rhl2_wigner-seitz.py :language: py Edge cases ========== In rhombohedral lattice :math:`a = b = c` and :math:`\alpha = \beta = \gamma`, thus three edge cases exist: If :math:`\alpha = 60^{\circ}`, then the lattice is :ref:`lattice-fcc` If :math:`\alpha \approx 109.47122063^{\circ}` (:math:`\cos(\alpha) = -1/3`), then the lattice is :ref:`lattice-bcc`. If :math:`\alpha = 90^{\circ}`, then the lattice is :ref:`lattice-cub`.