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 promise in this prospect Zhao et al. Nature 508, 373 (2014). By calculating the thermoelectric properties of orthorhombic IV-VI compounds GeS,GeSe,SnS, and SnSe based on the first-principles combined with the Boltzmann transport theory, we show that the Seebeck coefficient, electrical conductivity, and thermal conductivity of orthorhombic SnSe are in agreement with the recent experiment. Importantly, GeS, GeSe, and SnS exhibit comparative thermoelectric performance compared to SnSe. Especially, the Seebeck coefficients of GeS, GeSe, and SnS are even larger than that of SnSe under the studied carrier concentration and temperature region. We also use the Cahill's model to estimate the lattice thermal conductivities at the room temperature. The large Seebeck coefficients, high power factors, and low thermal conductivities make these four orthorhombic IV-VI compounds promising candidates for high-efficient thermoelectric materials.
Realization of ferroelectric semiconductors by conjoining ferroelectricity with semiconductors remains a challenging task because most present-day ferroelectric materials are unsuitable for such a ...combination due to their wide bandgaps. Herein, we show first-principles evidence toward the realization of a new class of two-dimensional (2D) ferroelectric semiconductors through covalent functionalization of many prevailing 2D materials. Members in this new class of 2D ferroelectric semiconductors include covalently functionalized germanene, and stanene (Nat. Commun. 2014, 5, 3389), as well as MoS2 monolayer (Nat. Chem. 2015, 7, 45), covalent functionalization of the surface of bulk semiconductors such as silicon (111) (J. Phys. Chem. B 2006, 110 , 23898), and the substrates of oxides such as silica with self-assembly monolayers (Nano Lett. 2014, 14, 1354). The newly predicted 2D ferroelectric semiconductors possess high mobility, modest bandgaps, and distinct ferroelectricity that can be exploited for developing various heterostructural devices with desired functionalities. For example, we propose applications of the 2D materials as 2D ferroelectric field-effect transistors with ultrahigh on/off ratio, topological transistors with Dirac Fermions switchable between holes and electrons, ferroelectric junctions with ultrahigh electro-resistance, and multiferroic junctions for controlling spin by electric fields. All these heterostructural devices take advantage of the combination of high-mobility semiconductors with fast writing and nondestructive reading capability of nonvolatile memory, thereby holding great potential for the development of future multifunctional devices.
Minimizing the band splitting energy to approach orbital degeneracy has been shown as a route to improved thermoelectric performance. This represents an open opportunity in some promising layered ...materials where there is a separation of p orbitals at the valence band edge due to the crystal field splitting. In this work, using ab initio calculations and semiclassical Boltzmann transport theory, we try to figure out how orbital degeneracy influences the thermoelectric properties of layered transition-metal dichalcogenide ZrS2. We tune the splitting energy by applying compressive biaxial strain, and find out that near-degeneration at the Γ point can be achieved for around 3% strain. As expected, the enhanced density-of-states effective mass results in an increased power factor. Interestingly, we also find a marked decline in the lattice thermal conductivity due to the effect of strain on phonon velocities and scattering. The two effects synergetically enhance the figure of merit. Our results highlight the convenience of exploring this optimization route in layered thermoelectric materials with band structures similar to that of ZrS2.
Abstract
By using the non-equilibrium Green’s function with density functional theory, we have studied the thermal spin transport properties of Fe-C
6
cluster doped monolayer MoS
2
. The results show ...that the device has a perfect Seebeck effect under temperature difference without gate voltage or bias voltage. Moreover, we also find the thermal colossal magnetoresistance effect, which is as high as 10
7
%. The competition between spin up electrons and spin down holes of the parallel spin configuration leads to peculiar behavior of colossal magnetoresistance and thermo-current, which is essential for the design of thermal transistors. These results are useful in future MoS
2
-based multifunctional spin caloritronic devices.
Vibration and noise are inseparable. Torque ripple is one of the major sources of acoustic noise in the steady operation of hybrid stepper motor. Identifying the effects of these sources are ...important for in motor drive research. The paper analyses the relationship between the acoustic noise frequency and harmonic current in 3-phase hybrid stepper motor. The results show that the micro-stepping drive mode of the 3-phase hybrid stepper motor is helpful to improve motor performance and reduce the acoustic noise of the motor. The analysis is helpful to develop high-performance stepper motor and its driver.
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 heterojunction consisting of single-hydrogen-terminated ZGNR (ZGNR-H) and double-hydrogen-terminated ZGNR (ZGNR-H2). We predict that spin-up and spin-down currents flowing in opposite directions can be induced by temperature difference instead of external electrical bias. The thermal spin-up current is considerably large and greatly improved compared with previous work in graphene. Moreover, the thermal colossal magnetoresistance is obtained in our research, which could be used to fabricate highly-efficient spin caloritronics MR devices.
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 heterojunction consisting of a pure single-hydrogen-terminated ZGNR and one doped with nitrogen and boron. Using the density functional theory combined with the non-equilibrium Green's function, we investigate the thermal spin transport properties of the heterojunction under different magnetic configurations only by a temperature gradient without an external gate or bias voltage. Our results indicate that thermally-induced spin polarized currents can be tuned by switching the magnetic configurations, resulting in a perfect thermal colossal magnetoresistance effect. The heterojunctions with different magnetic configurations exhibit a variety of excellent transport characteristics, including the spin-Seebeck effect, the spin-filtering effect, the temperature switching effect, the negative differential thermal resistance effect and the spin-Seebeck diode feature, which makes the heterojunction a promising candidate for high-efficiently multifunctional spin caloritronic applications.
Vertical planar gate 4H-SiC p-ch SiC MOSFET is fabricated as a potential candidate for complementary power applications. Its unclamped inductive switching (UIS) capability is investigated by ...measurement and TCAD simulation. The p-ch SiC MOSFET shows a low UIS capability rather than n-ch SiC MOSFET because of the unoptimized termination structure. The UIS capability of p-ch MOSFET can be improved by good design of edge region.
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 that the device possesses spin filter effect (SFE), spin valve effect (SVE), and negative differential resistance (NDR) behavior. Moreover, we also find that the appropriate chemical ligand, coupling the single molecule to leads, is a key factor for manipulating spin-dependent transport. The device containing the methyl ligand behaves as a nearly perfect spin filter with efficiency approaching 100%, and the transport is dominated by transmission through the Fe4 metal center. However, in the case of phenyl ligand, the spin filter effect seems to be reduced, but the spin valve effect is significantly enhanced with a large magnetoresistance ratio, reaching 1800%. This may be attributed to the blocking effect of the phenyl ligands in mediating transport. Our findings suggest that such a multifunctional molecular device, possessing SVE, NDR and high SFE simultaneously, would be an excellent candidate for spintronics of molecular devices.
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