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8 papers · 2 filters
High-pressure synthesis of Dirac materials: layered van der Waals bonded BeN polymorph
Maxim Bykov, Timofey Fedotenko, Stella Chariton +17
High pressure chemistry is known to inspire the creation of unexpected new classes of compounds with exceptional properties. Here we report the synthesis at ~90 GPa of novel beryll…
Strain-induced semiconductor to metal transition in MA2Z4 bilayers
Hongxia Zhong, Wenqi Xiong, Pengfei Lv +2
Very recently, a new type of two-dimensional layered material MoSi2N4 has been fabricated, which is semiconducting with weak interlayer interaction, high strength, and excellent st…
Strain control of the competition between metallic and semiconducting states in single-layers of TaSe
Jose Angel Silva-Guillén, Enric Canadell
TaSe is a metallic layered material whose structure is built from TaSe trigonal prismatic chains. In this work we report a first-principles density functional theory study…
Strong interlayer coupling in two-dimensional PbSe with high thermoelectric performance
Z. P. Yin, C. Y. Sheng, R. Hu +4
It was generally assumed that weak van der Waals interactions exist between neighboring layers in the two-dimensional group-IV chalcogenides. Using PbSe as a prototypal example, ho…
High thermoelectric performance of half-Heusler compound BiBaK with intrinsically low lattice thermal conductivity
S. H. Han, Z. Z. Zhou, C. Y. Sheng +4
Half-Heusler compounds usually exhibit relatively higher lattice thermal conductivity that is undesirable for thermoelectric applications. Here we demonstrate by first-principles c…
Pressure and electric field dependence of quasicrystalline electronic states in 30 twisted bilayer graphene
Guodong Yu, Mikhail I. Katsnelson, Shengjun Yuan
30 twisted bilayer graphene demonstrates the quasicrystalline electronic states with 12-fold symmetry. These states are however far away from the Fermi level, which makes…