The spin caloritronic properties of the Janus VSTe monolayer were investigated using density functional theory(DFT)and the non-equilibrium Green’s function(NEGF)method,implemented in the Atomistix Toolkit(ATK)package...The spin caloritronic properties of the Janus VSTe monolayer were investigated using density functional theory(DFT)and the non-equilibrium Green’s function(NEGF)method,implemented in the Atomistix Toolkit(ATK)package.Our study revealed significant spin-splitting within the Janus VSTe monolayer,which induced spin currents under a temperature gradient across the device.By applying a 1%tensile strain,the Janus VSTe monolayer exhibited a perfect thermal spin filtering effect(SFE),with the spin-up current nearly suppressed to zero.Both the unstrained and strained Janus VSTe monolayers demonstrated excellent spin caloritronic properties,with spin figures of merit of 10.915 and 8.432 at an average temperature of 100 K,respectively.Notably,these properties were found to be sensitive to temperature,performing optimally at lower temperatures.These results suggest a promising avenue for designing spin caloritronic devices aimed at efficient waste heat recovery.展开更多
Moleculardeviceswith highswitchingperformance and/or the perfect spin filtering effect have always been the pursuit with the development of molecular electronics.Hereb,yusingthe 2001.0V nonequilibrium.Green's func...Moleculardeviceswith highswitchingperformance and/or the perfect spin filtering effect have always been the pursuit with the development of molecular electronics.Hereb,yusingthe 2001.0V nonequilibrium.Green's function method in combination with the density functionaltheory,the switching performance and spin filtering properties of dimethyldihydropyrene(DHP)/cyclophanediene(CPD)photoswitchable molecule connected by carbon atomic chains(CACs)to two zigzag graphene nanoribbon electrodes have been theoretically investigated.The results show that DHP is more conductive than CPD and therefore an evident switching effect is demonstrated,and the switching ratio(RON/OFF)can reach 4.5×103.It is further revealed that the RoON/OF of DHP/CPD closely depends on the length of CACs.More specifically,the RoN/OFF values of DHP/CPD with odd-numbered CACs are larger than those with even-numbered CACs.More interestingly,a high or even perfect spin filtering effect can be obtained in these investigated DHP/CPD single-molecule devices.Our study is helpful for future design of single-molecule switches and spin filters and provides a way to optimize their performance by means of varying the length of bridging CACs.展开更多
The realization of a perfect spin or valley filtering effect in two-dimensional graphene-like materials is one of the fundamental objectives in spintronics and valleytronics. For this purpose, we study spin- and valle...The realization of a perfect spin or valley filtering effect in two-dimensional graphene-like materials is one of the fundamental objectives in spintronics and valleytronics. For this purpose, we study spin- and valley-dependent transport in a silicene system with spatially alternative strains. It is found that due to the valley-opposite gauge field induced by the strain, the strained silicene with a superlattice structure exhibits an angle-resolved valley and spin filtering effect when the spin–orbit interaction is considered. When the interaction that breaks the time reversal symmetry is introduced, such as the spin or valley dependent staggered magnetization, the system is shown to be a perfect spin and valley half metal in which only one spin and valley species is allowed to transport. Our findings are helpful to design both spintronic and valleytronic devices based on silicene.展开更多
Exploring silicon-based spin modulating junction is one of the most promising areas of spintronics.Using nonequilibrium Green's function combined with density functional theory,a set of spin filters of hydrogenate...Exploring silicon-based spin modulating junction is one of the most promising areas of spintronics.Using nonequilibrium Green's function combined with density functional theory,a set of spin filters of hydrogenated zigzag silicene nanoribbons is designed by substituting a silicon atom with a boron one and the spin-correlated transport properties are studied.The results show that the spin polarization can be realized by structural symmetry breaking induced by boron doping.Remarkably,by tuning the edge hydrogenation,it is found that the spin filter efficiency can be varied from 30%to 58%.Moreover,it is also found and explained that the asymmetric hydrogenation can give rise to an obvious negative differential resistance which usually appears at weakly coupled junction.These findings indicate that the boron-doped ZSiNR is a promising material for spintronic applications.展开更多
基金Project(2022JJ30049)supported by the Natural Science Foundation of Hunan Province,China。
文摘The spin caloritronic properties of the Janus VSTe monolayer were investigated using density functional theory(DFT)and the non-equilibrium Green’s function(NEGF)method,implemented in the Atomistix Toolkit(ATK)package.Our study revealed significant spin-splitting within the Janus VSTe monolayer,which induced spin currents under a temperature gradient across the device.By applying a 1%tensile strain,the Janus VSTe monolayer exhibited a perfect thermal spin filtering effect(SFE),with the spin-up current nearly suppressed to zero.Both the unstrained and strained Janus VSTe monolayers demonstrated excellent spin caloritronic properties,with spin figures of merit of 10.915 and 8.432 at an average temperature of 100 K,respectively.Notably,these properties were found to be sensitive to temperature,performing optimally at lower temperatures.These results suggest a promising avenue for designing spin caloritronic devices aimed at efficient waste heat recovery.
基金This work is supported by the National Natural Sci-ence Foundation China(No.22173052 of and No.11974217).
文摘Moleculardeviceswith highswitchingperformance and/or the perfect spin filtering effect have always been the pursuit with the development of molecular electronics.Hereb,yusingthe 2001.0V nonequilibrium.Green's function method in combination with the density functionaltheory,the switching performance and spin filtering properties of dimethyldihydropyrene(DHP)/cyclophanediene(CPD)photoswitchable molecule connected by carbon atomic chains(CACs)to two zigzag graphene nanoribbon electrodes have been theoretically investigated.The results show that DHP is more conductive than CPD and therefore an evident switching effect is demonstrated,and the switching ratio(RON/OFF)can reach 4.5×103.It is further revealed that the RoON/OF of DHP/CPD closely depends on the length of CACs.More specifically,the RoN/OFF values of DHP/CPD with odd-numbered CACs are larger than those with even-numbered CACs.More interestingly,a high or even perfect spin filtering effect can be obtained in these investigated DHP/CPD single-molecule devices.Our study is helpful for future design of single-molecule switches and spin filters and provides a way to optimize their performance by means of varying the length of bridging CACs.
文摘The realization of a perfect spin or valley filtering effect in two-dimensional graphene-like materials is one of the fundamental objectives in spintronics and valleytronics. For this purpose, we study spin- and valley-dependent transport in a silicene system with spatially alternative strains. It is found that due to the valley-opposite gauge field induced by the strain, the strained silicene with a superlattice structure exhibits an angle-resolved valley and spin filtering effect when the spin–orbit interaction is considered. When the interaction that breaks the time reversal symmetry is introduced, such as the spin or valley dependent staggered magnetization, the system is shown to be a perfect spin and valley half metal in which only one spin and valley species is allowed to transport. Our findings are helpful to design both spintronic and valleytronic devices based on silicene.
基金the National Natural Science Foundations of China(Grant No.11574118)the Natural Science Foundation of Shandong Province,China(Grant No.ZR2019PEM006).
文摘Exploring silicon-based spin modulating junction is one of the most promising areas of spintronics.Using nonequilibrium Green's function combined with density functional theory,a set of spin filters of hydrogenated zigzag silicene nanoribbons is designed by substituting a silicon atom with a boron one and the spin-correlated transport properties are studied.The results show that the spin polarization can be realized by structural symmetry breaking induced by boron doping.Remarkably,by tuning the edge hydrogenation,it is found that the spin filter efficiency can be varied from 30%to 58%.Moreover,it is also found and explained that the asymmetric hydrogenation can give rise to an obvious negative differential resistance which usually appears at weakly coupled junction.These findings indicate that the boron-doped ZSiNR is a promising material for spintronic applications.
