First-principles study on the electronic and magnetic properties of P edge-doped armchair germanium selenide nanoribbon

Magnetism and perfect spin filtering in pristine MgCl2 nanoribbons modulated by edge modification

“…1), since it can be used as another indication of the stability of these systems. 77,78 The length of the internal Mg–Cl bonds in all nanoribbons is approximately 2.54 Å, which is close to the bond length of 2.47 Å in the MgCl 2 monolayer. 42 In Table S1 (ESI†) we show the estimated charge transfer in our simulations by means of Bader charge analysis.…”

Large Memory Window of van der Waals Heterostructure Devices Based on MOCVD‐Grown 2D Layered Ge4Se9

“…Meanwhile, the group-IV metal chalcogenide family (group-IV metal = Ge, Sn/chalcogen = S, Se, Te) has been actively reported as a wide bandgap 2D vdW material over the last few years. [25][26][27] In particular, the GeSe and GeSe 2 phases exhibited interesting material characteristics, [28][29][30][31] such as magnetism, [32] ferroelectricity, [33,34] thermoelectricity, [35] and nonlinear optics, [36] and could be potentially used in photonics and electronics applications, including in ovonic threshold switch devices. [37][38][39][40] According to the band structure calculation for the germanium selenide phases, Ge 4 Se 9 , which has not been reported to grow in 2D vdW form yet, remains an interesting material as it exhibits a small band offset with MoS 2 , which is the major channel material for 2D heterostructure devices.…”

First-principles study of CdSe nanoribbons under uniaxial tensile strain

“…The band structure indicates that the ACdSeNRs show a semiconductor character, which coincides with other previous works on ACdSeNRs 45 and AGeSeNRs. 50 For ACdSeNRs, states near the Fermi level mainly come from the Se atoms, which also contribute a lot to the states with lower energies. However, the Se and Cd atoms almost contribute equally to the states with higher energies.…”

“…The study demonstrated that the electronic, magnetic, and transport properties of one-dimensional NRs are significantly influenced by the edge type and applied strains. [41][42][43][44][45][46][47][48][49][50] The band gap of armchair GNRs can oscillate as a function of their width, and the zigzag edges are all metallic, resulting in magnetic properties that are intriguing. 51 Our previous research demonstrates that armchair CdSe nanoribbons (ACdSeNRs) are nonmagnetic and the band gap decreases monotonically with increasing width, whereas zigzag CdSe nanoribbons (ZCdSeNRs) are metallic and have nonzero net magnetic moments.…”