arXiv subjects

Branislav K. Nikolic

Publications and source records attributed to Branislav K. Nikolic.

At least 73 records · Page 4Linked to original sources

arXiv2012

Spin-transfer torque and spin-polarization in topological-insulator/ferromagnet vertical heterostructures

We predict an unconventional spin-transfer torque (STT) acting on the magnetization of a free ferromagnetic (F) layer within N/TI/F vertical heterostructures which originates from strong spin-orbit coupling (SOC) on the surface of a three-dimensional topological insulator (TI), as well as from charge current becoming spin-polarized in the direction of transport as it flows from the normal metal (N) across the bulk of the TI slab. Unlike conventional STT in symmetric F'/I/F magnetic tunnel junctions, where only the in-plane STT component is non-zero in the linear response, both the in-plane and perpendicular torque are sizable in N/TI/F junctions while not requiring fixed F' layer as spin-polarizer which is advantageous for spintronic applications. Using the nonequilibrium Born-Oppenheimer treatment of interaction between fast conduction electrons and slow magnetization, we derive a general Keldysh Green function-based STT formula which makes it possible to analyze torque in the presence of SOC either in the bulk or at the interface of the free F layer.

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arXiv2012

Edge currents and nanopore arrays in zigzag and chiral graphene nanoribbons as a route toward high-$ZT$ thermoelectrics

We analyze electronic and phononic quantum transport through zigzag or chiral graphene nanoribbons (GNRs) perforated with an array of nanopores. Since local charge current profiles in these GNRs are peaked around their edges, drilling nanopores in their interior does not affect such edge charge currents while drastically reducing heat current carried by phonons in sufficiently long wires. The combination of these two effects can yield highly efficient thermoelectric devices with maximum $ZT \simeq 11$ at liquid nitrogen temperature and $ZT \simeq 4$ at room temperature achieved in $\sim 1$ $μ$m long zigzag GNRs with nanopores of variable diameter and spacing between them. Our analysis is based on the $π$-orbital tight-binding Hamiltonian with up to third nearest-neighbor hopping for electronic subsystem, the empirical fourth-nearest-neighbor model for phononic subsystem, and nonequilibrium Green function formalism to study quantum transport in both of these models.

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arXiv2011

Quantum coherence and its dephasing in the giant spin Hall effect and nonlocal voltage generated by magnetotransport through multiterminal graphene bars

Motivated by the recent experimental observation [D. A. Abanin et al., Science 323, 328 (2011)] of nonlocality in magnetotransport near the Dirac point in six-terminal graphene Hall bars, for a wide range of temperatures and magnetic fields, we develop a nonequilibrium Green function (NEGF) theory of this phenomenon. In the phase-coherent regime and strong magnetic field, we find large spin Hall (SH) conductance in four-terminal bridges, where the SH current is pure only at the Dirac point (DP), as well as the nonlocal voltage at a remote location in six-terminal bars where the direct and inverse SH effect operate at the same time. The "momentum-relaxing" dephasing reduces their values at the DP by two orders of magnitude while concurrently washing out any features away from the DP. Our theory is based on the Meir-Wingreen formula with dephasing introduced via phenomenological many-body self-energies, which is then linearized for multiterminal geometries to extract currents and voltages.

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arXiv2011

Charge pumping by magnetization dynamics in magnetic and semi-magnetic tunnel junctions with interfacial Rashba or bulk extrinsic spin-orbit couplings

We develop a time-dependent nonequilibrium Green function (NEGF) approach to the problem of spin pumping by precessing magnetization in one of the ferromagnetic layers within F/I/F magnetic tunnel junctions (MTJs) or F/I/N semi-MTJs in the presence of intrinsic Rashba spin-orbit coupling (SOC) at the F/I interface or the extrinsic SOC in the bulk of F layers of finite thickness (F-ferromagnet; N-normal metal; I-insulating barrier). To express the time-averaged pumped charge current, or the corresponding dc voltage signal in open circuits that was measured in recent experiments on semi-MTJs [T. Moriyama et al., Phys. Rev. Lett. 100, 067602 (2008)], we construct a novel solution for the double-time-Fourier-transformed NEGFs. The two energy arguments of NEGFs in this representation are connected by the Floquet theorem describing multiphoton emission and absorption processes. Within this fully quantum-mechanical treatment of the conduction electrons, we find that: (i) only in the presence of the interfacial Rashba SOC the non-zero dc pumping voltage in F/I/N semi-MTJ can emerge at the adiabatic level (i.e., proportional to microwave frequency); (ii) a unique signature of this charge pumping phenomenon, which disappears if Rashba SOC is not located with the precessing F layer, is dc pumping voltage that changes sign as the function of the precession cone angle; (iii) unlike standard spin pumping in the absence of SOCs, where one emitted or absorbed microwave photon is sufficient to match the exact solution in the frame rotating with the magnetization, the presence of the Rashba SOC requires to take into account up to ten photons in order to reach the asymptotic value of pumped charge current; (iv) disorder within F/I/F MTJs can enhance the dc pumping voltage in the quasiballistic transport regime; ...

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arXiv2011

First-principles quantum transport modeling of thermoelectricity in single-molecule nanojunctions with graphene nanoribbon electrodes

We overview nonequilibrium Green function combined with density functional theory (NEGF-DFT) modeling of independent electron and phonon transport in nanojunctions with applications focused on a new class of thermoelectric devices where a single molecule is attached to two metallic zigzag graphene nanoribbons (ZGNRs) via highly transparent contacts. Such contacts make possible injection of evanescent wavefunctions from ZGNRs, so that their overlap within the molecular region generates a peak in the electronic transmission. Additionally, the spatial symmetry properties of the transverse propagating states in the ZGNR electrodes suppress hole-like contributions to the thermopower. Thus optimized thermopower, together with diminished phonon conductance through a ZGNR/molecule/ZGNR inhomogeneous structure, yields the thermoelectric figure of merit ZT~0.5 at room temperature and 0.5<ZT<2.5 below liquid nitrogen temperature. The reliance on evanescent mode transport and symmetry of propagating states in the electrodes makes the electronic-transport-determined power factor in this class of devices largely insensitive to the type of sufficiently short conjugated organic molecule, which we demonstrate by showing that both 18-annulene and C10 molecule sandwiched by the two ZGNR electrodes yield similar thermopower. Thus, one can search for molecules that will further reduce the phonon thermal conductance (in the denominator of ZT) while keeping the electronic power factor (in the nominator of ZT) optimized. We also show how often employed Brenner empirical interatomic potential for hydrocarbon systems fails to describe phonon transport in our single-molecule nanojunctions when contrasted with first-principles results obtained via NEGF-DFT methodology.

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arXiv2011

DNA nucleotide-specific modulation of μA transverse edge currents through a metallic graphene nanoribbon with a nanopore

We propose two-terminal devices for DNA sequencing which consist of a metallic graphene nanoribbon with zigzag edges (ZGNR) and a nanopore in its interior through which the DNA molecule is translocated. Using the nonequilibrium Green functions combined with density functional theory, we demonstrate that each of the four DNA nucleotides inserted into the nanopore, whose edge carbon atoms are passivated by either hydrogen or nitrogen, will lead to a unique change in the device conductance. Unlike other recent biosensors based on transverse electronic transport through DNA nucleotides, which utilize small (of the order of pA) tunneling current across a nanogap or a nanopore yielding a poor signal-to-noise ratio, our device concept relies on the fact that in ZGNRs local current density is peaked around the edges so that drilling a nanopore away from the edges will not diminish the conductance. Inserting a DNA nucleotide into the nanopore affects the charge density in the surrounding area, thereby modulating edge conduction currents whose magnitude is of the order of μA at bias voltage ~ 0.1 V. The proposed biosensor is not limited to ZGNRs and it could be realized with other nanowires supporting transverse edge currents, such as chiral GNRs or wires made of two-dimensional topological insulators.

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arXiv2011

Multiterminal single-molecule--graphene-nanoribbon thermoelectric devices with gate-voltage tunable figure of merit ZT

We study thermoelectric devices where a single 18-annulene molecule is connected to metallic zigzag graphene nanoribbons (ZGNR) via highly transparent contacts that allow for injection of evanescent wave functions from ZGNRs into the molecular ring. Their overlap generates a peak in the electronic transmission, while ZGNRs additionally suppress hole-like contributions to the thermopower. Thus optimized thermopower, together with suppression of phonon transport through ZGNR-molecule-ZGNR structure, yield the thermoelectric figure of merit ZT ~ 0.5 at room temperature and 0.5 < ZT < 2.5 below liquid nitrogen temperature. Using the nonequilibrium Green function formalism combined with density functional theory, recently extended to multiterminal devices, we show how the transmission resonance can also be manipulated by the voltage applied to a third ZGNR electrode, acting as the top gate covering molecular ring, to tune the value of ZT.

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arXiv2010

Quantum-interference-controlled three-terminal molecular transistors based on a single ring-shaped-molecule connected to graphene nanoribbon electrodes

We study all-carbon-hydrogen molecular transistors where zigzag graphene nanoribbons play the role of three metallic electrodes connected to a ring-shaped 18-annulene molecule. Using the nonequilibrium Green function formalism combined with density functional theory, recently extended to multiterminal devices, we show that the proposed nanostructures exhibit exponentially small transmission when the source and drain electrodes are attached in a configuration that ensures destructive interference of electron paths around the ring. The third electrode, functioning either as an attached infinite-impedance voltage probe or as an "air-bridge" top gate covering half of molecular ring, introduces dephasing that brings the transistor into the "on" state with its transmission in the latter case approaching the maximum limit for a single conducting channel device. The current through the latter device can also be controlled in the far-from-equilibrium regime by applying a gate voltage.

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arXiv2010

Microwave-driven ferromagnet--topological-insulator heterostructures: The prospect for giant spin battery effect and quantized charge pump devices

We study heterostructures where a two-dimensional topological insulator (TI) is attached to two normal metal (NM) electrodes while an island of a ferromagnetic insulator (FI) with precessing magnetization covers a portion of its lateral edges to induce time-dependent exchange field underneath via the magnetic proximity effect. When the FI island covers both lateral edges, such device pumps pure spin current in the absence of any bias voltage, thereby acting as an efficient spin battery with giant output current even at very small microwave power input driving the precession. When only one lateral edge is covered by the FI island, both charge and spin current are pumped into the NM electrodes. We delineate conditions for the corresponding conductances (current-to-microwave-frequency ratio) to be quantized in a wide interval of precession cone angles, which is robust with respect to weak disorder and can be further extended by changes in device geometry.

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arXiv2009

Inverse quantum spin Hall effect generated by spin pumping from precessing magnetization into a graphene-based two-dimensional topological insulator

We propose a multiterminal nanostructure for electrical probing of the quantum spin Hall effect (QSHE) in two-dimensional (2D) topological insulators. The device consists of a ferromagnetic (FM) island with precessing magnetization that pumps (in the absence of any bias voltage) pure spin current symmetrically into the left and right adjacent 2D TIs modeled as graphene nanoribbons with the intrinsic spin-orbit (SO) coupling. The QSH regime of the six-terminal TI|FM|TI nanodevice, attached to two longitudinal and four transverse normal metal electrodes, is characterized by the SO-coupling-induced energy gap, chiral spin-filtered edge states within finite length TI regions, and quantized spin Hall conductance when longitudinal bias voltage is applied, despite the presence of the FM island. The same unbiased device, but with precessing magnetization of the central FM island, blocks completely pumping of total spin and charge currents into the longitudinal electrodes while generating DC transverse charge Hall currents. Although these transverse charge currents are not quantized, their induction together with zero longitudinal charge current is a unique electrical response of TIs to pumped pure spin current that cannot be mimicked by SO-coupled but topologically trivial systems. In the corresponding two-terminal inhomogeneous TI|FM|TI nanostructures, we image spatial profiles of local spin and charge currents within TIs which illustrate transport confined to chiral spin-filtered edges states while revealing concomitantly the existence of interfacial spin and charge currents flowing around TI|FM interfaces and penetrating into the bulk of TIs over some short distance.

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arXiv2009

Electron density and transport in top-gated graphene nanoribbon devices: First-principles Green function algorithms for systems containing large number of atoms

The recent fabrication of graphene nanoribbon (GNR) field-effect transistors poses a challenge for first-principles modeling of carbon nanoelectronics due to many thousand atoms present in the device. The state of the art quantum transport algorithms, based on the nonequilibrium Green function formalism combined with the density functional theory (NEGF-DFT), were originally developed to calculate self-consistent electron density in equilibrium and at finite bias voltage (as a prerequisite to obtain conductance or current-voltage characteristics, respectively) for small molecules attached to metallic electrodes where only a few hundred atoms are typically simulated. Here we introduce combination of two numerically efficient algorithms which make it possible to extend the NEGF-DFT framework to device simulations involving large number of atoms. We illustrate fusion of these two algorithms into the NEGF-DFT-type code by computing charge transfer, charge redistribution and conductance in zigzag-GNR/variable-width-armchair-GNR/zigzag-GNR two-terminal device covered with a gate electrode made of graphene layer as well. The total number of carbon and edge-passivating hydrogen atoms within the simulated central region of this device is ~7000. Our self-consistent modeling of the gate voltage effect suggests that rather large gate voltage might be required to shift the band gap of the proposed AGNR interconnect and switch the transport from insulating into the regime of a single open conducting channel.

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arXiv2009

Spin Currents in Semiconductor Nanostructures: A Nonequilibrium Green-Function Approach

This chapter of "The Oxford Handbook of Nanoscience and Technology: Frontiers and Advances" reviews nonequilibrium Green function (NEGF) approach to modeling spin current generation, transport, and detection in semiconductor nanostructures containing different types of spin-orbit (SO) couplings. Its tutorial style--with examples drawn from the field of the spin Hall effects (SHEs) and with treatment of the Rashba, Dresselhaus and extrinsic SO couplings--offers practical recipes to compute total spin and charge currents flowing out of the device, as well as the nonequilibrium local spin densities and spin fluxes within the multiterminal nanostructure. These quantities, which are obtained from the knowledge of spin-resolved NEGFs that can describe both ballistic and diffusive transport regimes while handling phase-coherent effects or dephasing mechanisms relevant at room temperature, can be employed to understand recent experiments on all-electrical detection of mesoscopic and quantum SHE in complicated low-dimensional nanostructures, as well as to model a multitude of "second generation" spintronic devices exploiting coherent spin dynamics. The chapter also provides extensive coverage of relevant technical and computational details, such as: (i) the construction of retarded and lesser Green functions for SO-coupled nanostructures attached to many electrodes; (ii) computation of self-energies introduced by different types of electrodes attached to the central region; and (iii) accelerated algorithms for NEGF evaluation that make possible spin transport modeling in devices of the size comparable to the spin precession length (typically few hundreds of nanometers) that sets the scale where mesoscopic SHE effect in ballistic SO-coupled nanostructures is expected to reach its optimal magnitude.

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arXiv2009

Shot Noise Probing of Magnetic Ordering in Zigzag Graphene Nanoribbons

The nonequilibrium time-dependent fluctuations of charge current have recently emerged as a sensitive experimental tool to probe ballistic transport through evanescent wave functions introduced into clean wide and short graphene strips by the attached metallic electrodes. We demonstrate that such "pseudo-diffusive" shot noise can be substantially modified in zigzag graphene nanoribbon (ZGNR) due to the topology of its edges responsible for localized states that facilitate ferromagnetic ordering along the edge when Coulomb interaction is taken into account. Thus, the shot noise enhancement of unpolarized, and even more sensitively of spin-polarized, charge currents injected into ZGNR will act as an all-electrical and edge-sensitive probe of such low-dimensional magnetism.

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arXiv2009

Spin and charge pumping in magnetic tunnel junctions with precessing magnetization: A nonequilibrium Green function approach

We study spin and charge currents pumped by precessing magnetization of a single ferromagnetic layer within F|I|N or F|I|F (F-ferromagnet; I-insulator; N-normal-metal) multilayers of nanoscale thickness attached to two normal metal electrodes with no applied bias voltage between them. Both simple one-dimensional model, consisting of a single precessing spin and a potential barrier as the "sample," and realistic three-dimensional devices are investigated. In the rotating reference frame, where the magnetization appears to be static, these junctions are mapped onto a four-terminal dc circuit whose effectively half-metallic ferromagnetic electrodes are biased by the frequency $\hbar ω/e$ of microwave radiation driving magnetization precession at the ferromagnetic resonance (FMR) conditions. We show that pumped spin current in F|I|F junctions, diminished behind the tunnel barrier and increased in the opposite direction, is filtered into charge current by the second $F$ layer to generate dc pumping voltage of the order of $\sim 1$ $μ$V (at FMR frequency $\sim 10$ GHz) in an open circuit. In F|I|N devices, several orders of magnitude smaller charge current and the corresponding dc voltage appear concomitantly with the pumped spin current due to barrier induced asymmetry in the transmission coefficients connecting the four electrodes in the rotating frame picture of pumping.

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arXiv2009

What can we learn about the dynamics of transported spins by measuring shot noise in spin-orbit-coupled nanostructures?

We review recent studies of the shot noise of spin-polarized charge currents and pure spin currents in multiterminal semiconductor nanostructures, while focusing on the effects brought by the intrinsic Rashba spin-orbit (SO) coupling and/or extrinsic SO scattering off impurities in two-dimensional electron gas (2DEG) based devices. By generalizing the scattering theory of quantum shot noise to include the full spin-density matrix of electrons injected from a spin-filtering electrode, we show how decoherence and dephasing in the course of spin precession can lead to substantial enhancement of the Fano factor (noise-to-current ratio) of spin-polarized charge currents. In four-terminal SO-coupled nanostructures, injection of unpolarized charge current through the longitudinal leads is responsible not only for the pure spin Hall current in the transverse leads, but also for nonequilibrium random time-dependent current fluctuations. The analysis of the shot noise of transverse pure spin Hall current and zero charge current, or transverse spin current and non-zero charge Hall current, driven by unpolarized or spin-polarized injected longitudinal charge current, respectively, reveals a unique experimental tool to differentiate between the intrinsic Rashba and extrinsic SO mechanisms underlying the spin Hall effect in 2DEG devices. Finally, we discuss the shot noise of transverse spin and zero charge currents in the quantum-interference-driven spin Hall effect in ballistic four-terminal Aharonov-Casher rings realized using high-mobility 2DEG with the Rashba SO coupling.

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arXiv2009

I-V curve signatures of nonequilibrium-driven band gap collapse in magnetically ordered zigzag graphene nanoribbon two-terminal devices

Motivated by the very recent fabrication of sub-10-nm-wide semiconducting graphene nanoribbons [X. Li et al., Science 319, 1229 (2008)], whose band gaps extracted from transport measurements were fitted to density functional theory predictions for magnetic ordering along zigzag edges that is responsible for the insulating ground state, we compute current-voltage (I-V) characteristics of finite-length zigzag graphene nanoribbons (ZGNR) attached to metallic contacts. The transport properties of such devices, at source-drain bias voltages beyond the linear response regime, are obtained using the nonequilibrium Green function formalism combined with the mean-field version of the Hubbard model fitted to reproduce the local spin density approximation description of magnetic ordering. Our results indicate that magnetic ordering and the corresponding band gap in ZGNR can be completely eliminated by passing large enough DC current through it. The threshold voltage increases with the ZGNR length (e.g., reaching $\approx 0.8$ V for $\simeq 13$ nm long ZGNR) which provides possible explanation of why the recent experiments [Wang et al., Phys. Rev. Lett. 100, 206803 (2008)] on $\sim 100$ nm long GNR field-effect transistors with bias voltage less than 1 V did not detect the I-V curve signatures of the band gap collapse. Thus, observation of predicted abrupt jump in the I-V curve of two-terminal devices with short ZGNR channel and transparent contacts will confirm its zigzag edge magnetic ordering via all-electrical measurements, as well as a current-flow-driven magnetic-insulator--nonmagnetic-metal nonequilibrium phase transition.

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arXiv2007

Spatial distribution of local currents of massless Dirac fermions in quantum transport through graphene nanoribbons

We employ the formalism of bond currents, expressed in terms of the nonequilibrium Green functions, to image the charge flow between two sites of the honeycomb lattice of graphene ribbons of few nanometers width. In sharp contrast to nonrelativistic electrons, current density profiles of quantum transport at energies close to the Dirac point in clean zigzag graphene nanoribbons (ZGNR) differs markedly from the profiles of charge density peaked at the edges due to zero-energy localized edge states. For transport through the lowest propagating mode induced by these edge states, edge vacancies do not affect current density peaked in the center of ZGNR. The long-range potential of a single impurity acts to reduce local current around it while concurrently increasing the current density along the zigzag edge, so that ZGNR conductance remains perfect $G=2e^2/h$.

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arXiv2006

Shot Noise of Spin-Decohering Transport in Spin-Orbit Coupled Nanostructures

We generalize the scattering theory of quantum shot noise to include the full spin-density matrix of electrons injected from a spin-filtering or ferromagnetic electrode into a quantum-coherent nanostructure governed by various spin-dependent interactions. This formalism yields the spin-resolved shot noise power for different experimental measurement setups--with ferromagnetic source and ferromagnetic or normal drain electrodes--whose evaluation for the diffusive multichannel quantum wires with the Rashba (SO) spin-orbit coupling shows how spin decoherence and dephasing lead to substantial enhancement of charge current fluctuations (characterized by Fano factors $> 1/3$). However, these processes and the corresponding shot noise increase are suppressed in narrow wires, so that charge transport experiments measuring the Fano factor $F_{\uparrow \to \uparrow \downarrow}$ in a ferromagnet/SO-coupled-wire/paramagnet setup also quantify the degree of phase-coherence of transported spin--we predict a one-to-one correspondence between the magnitude of the spin polarization vector and $F_{\uparrow \to \uparrow \downarrow}$.

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