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Open AccessMonolayer PdSe2: A promising two-dimensional thermoelectric material
Motivated by the recent experimental synthesis of two-dimensional semiconducting film PdSe2, we investigate the electronic and thermal transport properties of PdSe2 monolayer by using the density functional theor...
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Article
Open AccessMultiple thermal spin transport performances of graphene nanoribbon heterojuction co-doped with Nitrogen and Boron
Graphene nanoribbon is a popular material in spintronics owing to its unique electronic properties. Here, we propose a novel spin caloritronics device based on zigzag graphene nanoribbon (ZGNR), which is a het...
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Article
Open AccessSpin-dependent thermoelectric effects in Fe-C6 doped monolayer MoS2
By using the non-equilibrium Green’s function with density functional theory, we have studied the thermal spin transport properties of Fe-C6 cluster doped monolayer MoS2. The results show that the device has a pe...
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Article
Open AccessHigh-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds
Improving the thermoelectric efficiency is one of the greatest challenges in materials science. The recent discovery of excellent thermoelectric performance in simple orthorhombic SnSe crystal offers new promi...
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Article
Open AccessNearly Perfect Spin Filter, Spin Valve and Negative Differential Resistance Effects in a Fe4-based Single-molecule Junction
The spin-polarized transport in a single-molecule magnet Fe4 sandwiched between two gold electrodes is studied, using nonequilibrium Green's functions in combination with the density-functional theory. We predict...
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Article
Open AccessSpin Seebeck Effect and Thermal Colossal Magnetoresistance in Graphene Nanoribbon Heterojunction
Spin caloritronics devices are very important for future development of low-power-consumption technology. We propose a new spin caloritronics device based on zigzag graphene nanoribbon (ZGNR), which is a heter...