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Article
Strain manipulates the electric, elastic, thermal, and optical properties of MXene Lu2CT2 (T = F, OH)
In this paper, based on the density functional theory, the influence of the strain on the electric, elastic, thermal, and optical properties of Lu2CT2 (T = F, OH) is systematically studied. Because of hybridizati...
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Article
Quantum transport response of topological hinge modes
Electronic topological phases are typified by the conducting surface states that exist on the boundary of an insulating three-dimensional bulk. While the transport response of the two-dimensional surface state...
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Article
Impact of the vertical strain on the Schottky barrier height for graphene/AlN heterojunction: a study by the first-principles method
Recent years, graphene-based van der Waals (vdW) heterojunction becomes more and more popular in optoelectronics, nanoelectronics, and spintronics device area. Besides, the modulation of Schottky barrier heigh...
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Article
Exploration of n- and p-type do** for two-dimensional gallium nitride: charged defect calculation with first principles
The calculation of charge transition energy level (CTL) and defect formation energy are of significance to explore potential n-type or p-type do** in materials. Based on the first-principles method, this pa...