Abstract (EN):
<jats:title>Abstract</jats:title>
<jats:p>Rotational-symmetry-protected topological crystalline insulators (TCIs) are expected to host unique boundary modes, in that the surface normal to the rotational axis can feature surface states with `unpinned¿ Dirac points, which are not constrained to lie on high symmetry points or lines, but can lie at any general <jats:italic>k</jats:italic> point in the Brillouin zone. Also, as a higher order bulk boundary correspondence is involved here, a three-dimensional (3D) TCI can support one-dimensional (1D) helical edge states. Using first-principles band structure calculations, we identify the van der Waals material <jats:inline-formula>
<jats:inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="tdmab1607ieqn003.gif" xlink:type="simple" />
</jats:inline-formula>-Bi<jats:sub>4</jats:sub>Br<jats:sub>4</jats:sub> as a purely rotation symmetry protected TCI. We show that the <jats:inline-formula>
<jats:inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="tdmab1607ieqn004.gif" xlink:type="simple" />
</jats:inline-formula> surface of Bi<jats:sub>4</jats:sub>Br<jats:sub>4</jats:sub> exhibits a pair of unpinned topological Dirac fermions which are related to the presence of a two-fold rotation axis. These unpinned Dirac fermions possess an exotic spin texture which will be highly favorable for spin transport, and a band structure that consists of van Hove singularities due to a Lifshitz transition. We also identify 1D topological hinge states along the edges of an <jats:inline-formula>
<jats:inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="tdmab1607ieqn005.gif" xlink:type="simple" />
</jats:inline-formula>-Bi<jats:sub>4</jats:sub>Br<jats:sub>4</jats:sub> rod. We comment on how the predicted topological features in <jats:inline-formula>
<jats:inline-graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="tdmab1607ieqn006.gif" xlink:type="simple" />
</jats:inline-formula>-Bi<jats:sub>4</jats:sub>Br<jats:sub>4</jats:sub> could be accessed experimentally.</jats:p>
Language:
English
Type (Professor's evaluation):
Scientific
No. of pages:
8