Strain engineering the topological type-II Dirac semimetal <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mrow><mml:mi>NiTe</mml:mi></mml:mrow><mml:mn>2</mml:mn></mml:msub></mml:math>
نویسندگان
چکیده
In the present work, we investigated electronic and elastic properties in equilibrium under strain of type-II Dirac semimetal NiTe$_2$ using density functional theory (DFT). Our results demonstrate tunability nodes' energy momentum with that it is possible to bring them closer Fermi level, while other metallic bands are supressed. We also derive a minimal 4-band effective model for cones which accounts aforementioned effects by means lattice regularization, providing an inexpensive way further theoretical investigations easy comparison experiments. On equal footing, propose static control structure intercalating alkali species into van der Waals gap, resulting same obtained strain-engineering removing requirement situ strain. Finally, evaluating wavefunction's symmetry evolution as deformed, discuss consequences, such Liftshitz transitions coexistence type-I cones, thus motivating future investigations.
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ژورنال
عنوان ژورنال: Physical review
سال: 2021
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.103.125134