Modulated critical currents of spin-transfer torque-induced resistance changes in NiCu/Cu multilayered nanowires

• Mengqi Fu,
• Roman Hartmann,
• Julian Braun,
• Sergej Andreev,
• Torsten Pietsch and
• Elke Scheer

Beilstein J. Nanotechnol. 2024, 15, 360–366, doi:10.3762/bjnano.15.32

• controlled sequence along the long axis of the nanowires. Both magnetic switching and excitation phenomena driven by spin-polarized currents were clearly demonstrated in our NiCu/Cu multilayered nanowires. Moreover, the critical currents for switching and excitation were observed to be modulated in an

Investigating structural and electronic properties of neutral zinc clusters: a G₀W₀ and G₀W₀Г₀⁽¹⁾ benchmark

• Sunila Bakhsh,
• Muhammad Khalid,
• Sameen Aslam,
• Muhammad Sohail,
• Muhammad Aamir Iqbal,
• Mujtaba Ikram and
• Kareem Morsy

Beilstein J. Nanotechnol. 2024, 15, 310–316, doi:10.3762/bjnano.15.28

• the binding energy per atom of each cluster isomer, which can be defined as: where Etot is the total energy of the cluster after relaxation, n is the size of the cluster, and Eatom is the energy of a free atom. Here, we have also employed spin-polarized calculations to obtain the binding energies of

Molecular nanoarchitectonics: unification of nanotechnology and molecular/materials science

• Katsuhiko Ariga

Beilstein J. Nanotechnol. 2023, 14, 434–453, doi:10.3762/bjnano.14.35

• structure, magnetism, and charge and spin transport, are very interesting for nanoscale physics. In particular, nanostructures with zigzag edges are expected to have spin-polarized electronic edge states. The synthesized structures could play a leading role in graphene-based spintronics. In addition to

Theoretical investigations of oxygen vacancy effects in nickel-doped zirconia from ab initio XANES spectroscopy at the oxygen K-edge

• Dick Hartmann Douma,
• Lodvert Tchibota Poaty,
• Alessio Lamperti,
• Stéphane Kenmoe,
• Abdulrafiu Tunde Raji,
• Alberto Debernardi and
• Bernard M’Passi-Mabiala

Beilstein J. Nanotechnol. 2022, 13, 975–985, doi:10.3762/bjnano.13.85

• systematic study of the transition from the tetragonal to the cubic supercell is presented). To model the nickel-doped system, we substitute two Zr atoms at their respective lattice sites with two nickel atoms, Ni1 and Ni2. This corresponds to 6.25 atom % dopant concentration of the 2Ni-doped zirconia. Spin

• -polarized structural relaxation calculations are then performed to determine the energetically most stable spin configuration of the Ni dopant atoms in zirconia. The relaxed configuration of ZrO2 with the Ni1 and Ni2 dopants containing no vacancies, that is, the S0 structure is cubic. This structure is

Self-assembly of C₆₀ on a ZnTPP/Fe(001)–p(1 × 1)O substrate: observation of a quasi-freestanding C₆₀ monolayer

• Guglielmo Albani,
• Michele Capra,
• Alessandro Lodesani,
• Alberto Calloni,
• Gianlorenzo Bussetti,
• Marco Finazzi,
• Franco Ciccacci,
• Alberto Brambilla,
• Lamberto Duò and
• Andrea Picone

Beilstein J. Nanotechnol. 2022, 13, 857–864, doi:10.3762/bjnano.13.76

• , the hybridization between the electronic states of the metallic substrate and the molecular orbitals is crucial to induce spin-polarized molecular states at the organic/inorganic interface [17][18][19]. Conversely, if either isolated molecules or self-assembled monolayers are adsorbed on solid

In situ transport characterization of magnetic states in Nb/Co superconductor/ferromagnet heterostructures

• Olena M. Kapran,
• Roman Morari,
• Taras Golod,
• Evgenii A. Borodianskyi,
• Vladimir Boian,
• Andrei Prepelita,
• Nikolay Klenov,
• Anatoli S. Sidorenko and
• Vladimir M. Krasnov

Beilstein J. Nanotechnol. 2021, 12, 913–923, doi:10.3762/bjnano.12.68

• computing; devices exploiting spin polarized transport or integrated magnetic field; spin-valve; superconducting multilayers; superconducting spintronics; Introduction Competition between spin-polarized ferromagnetism and spin-singlet superconductivity leads to a variety of interesting phenomena including

Prediction of Co and Ru nanocluster morphology on 2D MoS₂ from interaction energies

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2021, 12, 704–724, doi:10.3762/bjnano.12.56

• Ab initio Simulation Package (VASP) version 5.4 [49]. Three-dimensional boundary conditions were applied and the spin-polarized general gradient approximation (GGA) along with the Perdew–Burke–Ernzerhof (PBE) approximation to the exchange–correlation functional were used to describe the system [50

Spontaneous shape transition of Mn_xGe_1−x islands to long nanowires

• S. Javad Rezvani,
• Luc Favre,
• Gabriele Giuli,
• Yiming Wubulikasimu,
• Isabelle Berbezier,
• Augusto Marcelli,
• Luca Boarino and
• Nicola Pinto

Beilstein J. Nanotechnol. 2021, 12, 366–374, doi:10.3762/bjnano.12.30

• spintronic applications. However, to achieve a reliable injection and detection of spin-polarized electrons in spintronic devices, appropriate heterostructures between semiconductors and magnetic alloys [9][10] need to be formed. Hence, a tailored growth process that preserves the injection efficiency and

Kondo effects in small-bandgap carbon nanotube quantum dots

• Patryk Florków,
• Damian Krychowski and
• Stanisław Lipiński

Beilstein J. Nanotechnol. 2020, 11, 1873–1890, doi:10.3762/bjnano.11.169

• a two-electron spin-polarized spin Kondo effect with |↑↓⟩ and |↓↓⟩ dot states engaged. In the 3e valley, there is a spin–orbit effect with fluctuating |↓2⟩ and |2↓⟩ states and screened spin and orbital moments. On the next map representing the conductance of a quantum dot formed in C(39,24), the

Effect of substitutional defects on resonant tunneling diodes based on armchair graphene and boron nitride nanoribbons lateral heterojunctions

• Majid Sanaeepur

Beilstein J. Nanotechnol. 2020, 11, 688–694, doi:10.3762/bjnano.11.56

• considers the interfaces of the Gr/hBN regions are parallel to the transport direction so that there are no bandgap variations in the transport direction. Since the electron transport is in zigzag direction, spin-polarized transport calculations are utilized. Instead, in the study presented here, the

• electron transport is in armchair direction, which is not spin-polarized. Therefore, nonequilibrium Green’s functions with tight-binding Hamiltonians (without considering spin degree of freedom) are utilized for electronic transport calculations. Furthermore, in the proposed RTD there are four GNR/BNNR

DFT calculations of the structure and stability of copper clusters on MoS₂

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2020, 11, 391–406, doi:10.3762/bjnano.11.30

• out with density functional theory (DFT) using the Vienna ab initio simulation package (VASP) version 5.4 [34]. It uses 3D periodic boundary conditions and the spin-polarized generalized gradient approximation (GGA) using the Perdew–Burke–Ernzerhof (PBE) approximation to the exchange–correlation

Giant magnetoresistance ratio in a current-perpendicular-to-plane spin valve based on an inverse Heusler alloy Ti₂NiAl

• Yu Feng,
• Zhou Cui,
• Bo Wu,
• Jianwei Li,
• Hongkuan Yuan and
• Hong Chen

Beilstein J. Nanotechnol. 2019, 10, 1658–1665, doi:10.3762/bjnano.10.161

• is also an effective way to study the transport properties of a device. A high MR ratio of 174% was reported in a recent work on Fe4N-based CPP-SV, and its spin-polarized quantum transport properties were investigated [12]. The CoFeMnSi-based heterostructure exhibited an ultrahigh tunnel

• transport coefficient at the Fermi level. This indicates that the spin up and spin down channels are blocked when the device is in the APC state, i.e., the spin-polarized current cannot be detected, and the device is turned off. When the device is in the PC state, a spin up transmission coefficient at the

• right electrode through a Ag spacer. In contrast, the spin down channel is still closed, and the spin down electrons, which are regarded as the minority of spin electrons, are suppressed. Hence, spin-polarized current can be detected when the device is in the PC state, and it is mainly dominated by spin

Superconducting switching due to a triplet component in the Pb/Cu/Ni/Cu/Co₂Cr_1−xFe_xAl_y spin-valve structure

• Andrey Andreevich Kamashev,
• Nadir Nurgayazovich Garif’yanov,
• Aidar Azatovich Validov,
• Joachim Schumann,
• Vladislav Kataev,
• Bernd Büchner,
• Yakov Victorovich Fominov and
• Ilgiz Abdulsamatovich Garifullin

Beilstein J. Nanotechnol. 2019, 10, 1458–1463, doi:10.3762/bjnano.10.144

• configuration efficiently draws off the spin-polarized Cooper pairs from the space between the HA and Ni layers. Our results indicate a significant potential of the concept of a superconducting spin-valve multilayer comprising a half-metallic ferromagnet, recently proposed by A. Singh et al., Phys. Rev. X 2015

• spin-polarized Cooper pairs from the space between the two F layers. The goals of the present work were twofold. First, we considered it necessary to verify the breakthrough results by Singh et al. [14], and, second, which was even more important, to answer the question whether the proposed concept of

• sample PLAK4216. It appears qualitatively similar to the ones observed by us previously ([9][13][15][21][23][24][25][26]), reaching a minimum near α = 90°. However, the minimum that we observe now is much deeper, suggesting that the SSV effect is dominated by the spin polarized (triplet) Cooper pairs

Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding

• Sha Dong,
• Xiaoli Sun and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2019, 10, 774–780, doi:10.3762/bjnano.10.77

• Li–S batteries. Simulation Details The same simulation method and models of [26] were used in the present work. All spin-polarized DFT calculations were performed with the Vienna ab initio simulation package (VASP) [42] plane-wave simulations. Electron–ion interaction and electron exchange

Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO₂ conversion

• Qianyi Cui,
• Gangqiang Qin,
• Weihua Wang,
• Lixiang Sun,
• Aijun Du and
• Qiao Sun

Beilstein J. Nanotechnol. 2019, 10, 540–548, doi:10.3762/bjnano.10.55

• for experimental researchers in search of low cost and efficient SACs for CO2 reduction. Computational Methods All of the calculations were carried out by means of spin-polarized DFT with the DMol3 code [54][55]. The exchange and correlation potentials were calculated using the Perdew, Burke, and

Improved catalytic combustion of methane using CuO nanobelts with predominantly (001) surfaces

• Qingquan Kong,
• Yichun Yin,
• Bing Xue,
• Yonggang Jin,
• Wei Feng,
• Zhi-Gang Chen,
• Shi Su and
• Chenghua Sun

Beilstein J. Nanotechnol. 2018, 9, 2526–2532, doi:10.3762/bjnano.9.235

• differences too. Therefore, all energies and geometries shown below are based on spin-polarized calculations. Starting from clean (001), CH4 is firstly adsorbed with AE = −0.86 eV, followed by a spontaneous dissociation with CH3 and H adsorbed on surface oxygen, as depicted in Figure 4a–c. Similar as

• (Hiden MS HPR20) with a secondary electron multiplier detector. Methane conversion was defined as: (influent concentration of CH4 − effluent concentration of CH4)/influent concentration of CH4 × 100%. Theoretical calculations Spin-polarized DFT calculations were performed under the generalized gradient

High-temperature magnetism and microstructure of a semiconducting ferromagnetic (GaSb)_1−x(MnSb)_x alloy

• Leonid N. Oveshnikov,
• Elena I. Nekhaeva,
• Alexey V. Kochura,
• Alexander B. Davydov,
• Mikhail A. Shakhov,
• Sergey F. Marenkin,
• Oleg A. Novodvorskii,
• Alexander P. Kuzmenko,
• Alexander L. Vasiliev,
• Boris A. Aronzon and
• Erkki Lahderanta

Beilstein J. Nanotechnol. 2018, 9, 2457–2465, doi:10.3762/bjnano.9.230

• an anomalous Hall effect above room temperature, confirming the presence of spin-polarized carriers. Electron microscopy, atomic and magnetic force microscopy results suggest that the films under study have a homogenous columnar structure in the bulk while MnSb inclusions accumulate near the surface

• magnetic clusters and spin-polarized carriers. However, to verify this assumption and to reveal the origin of the high-temperature ferromagnetism in GaSb–MnSb alloys, one needs a detailed knowledge of the sample structure. Thus, in this paper we investigate magnetic and transport properties of the GaSb

• source of the high-temperature ferromagnetism in the studied systems. However, to justify the applicability of a model of interaction between carriers and inclusions, one needs to verify specific properties of spin-polarized system, for instance through transport measurements. It should be noted that the

Improving the catalytic activity for hydrogen evolution of monolayered SnSe_2(1−x)S_2x by mechanical strain

• Sha Dong and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2018, 9, 1820–1827, doi:10.3762/bjnano.9.173

• (1−x)S2x monolayer. SnSeS and SnSe0.5S1.5 monolayers show the best catalytic activity for HER at a tensile strain of 10%. This work provides a method of improvement of the catalytic activity of SnSe2(1−x)S2x monolayers. Simulation Details All calculations were performed based on spin-polarized DFT as

Free-radical gases on two-dimensional transition-metal disulfides (XS₂, X = Mo/W): robust half-metallicity for efficient nitrogen oxide sensors

• Chunmei Zhang,
• Yalong Jiao,
• Fengxian Ma,
• Sri Kasi Matta,
• Steven Bottle and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1641–1646, doi:10.3762/bjnano.9.156

• results also suggest XS2 (X = Mo, W) nanosheets can act as promising nanoscale NO sensors. Keywords: free radical; half-metallicity; nitric oxide (NO); sensors; spin-polarized; Introduction Nitrogen oxide (NOx) gases, one of the most common groups of air pollutants, are known as one culprit of acid rain

• spin-polarized gas-sensing between NO and other gas molecules. A completely spin-polarized current flow can be achieved in a half-metallic material [30][31][32][33]. Half-metallic materials exhibit semiconducting behavior in one spin channel and metallic behavior in the opposite spin channel, which

• could be uses in spintronics. But the lack of suitable materials limits the development of spintronic applications. Doping semiconductors may be applied to achieve spin-polarized currents, but this requires a complicated process. Although many materials have been predicted in theory for this purpose

Solid-state Stern–Gerlach spin splitter for magnetic field sensing, spintronics, and quantum computing

• Kristofer Björnson and
• Annica M. Black-Schaffer

Beilstein J. Nanotechnol. 2018, 9, 1558–1563, doi:10.3762/bjnano.9.147

• concrete application, we consider a system with fully spin-polarized ferromagnetic leads only containing electrons with spin-up. Further, the SG spin splitter is assumed to be oriented at an angle φ = π/2, which forces the incoming spins to split equally into both channels. Because the leads only conduct

• therefore consider the same configuration, but now evaluate all four components of the transfer matrix T(B, r, π/2): Similarly to the expressions above, the square of the transfer matrices gives the transfer probability of the spin-polarized currents. In particular, the off-diagonal matrix elements

Interplay between pairing and correlations in spin-polarized bound states

• Szczepan Głodzik,
• Aksel Kobiałka,
• Anna Gorczyca-Goraj,
• Andrzej Ptok,
• Grzegorz Górski,
• Maciej M. Maśka and
• Tadeusz Domański

Beilstein J. Nanotechnol. 2018, 9, 1370–1380, doi:10.3762/bjnano.9.129

• simply focus on the spin-polarized aspects of this problem. Due to the spin–orbit interaction, momentum and spin are no longer “good” quantum numbers. By solving the problem numerically, however, we can estimate the percentage with which the true quasiparticles are represented by the initial spin. We

• the subgap Kondo effect, effectively driven by the Coulomb repulsion U and coupling of the quantum dot (QD) with the normal lead ΓN in presence of electron pairing (induced via ΓS), which has a significant influence on the spin-polarized bound states of the QD. The basic mechanism of this subgap Kondo

• as competitive or collaborative in some analogy to the Kondo effect originating from multiple degrees of freedom [80]. The aforementioned spin-polarized effects can be experimentally verified by polarized ballistic tunneling or by using STM spectroscopy, relying on the selective equal-spin Andreev

Andreev spectrum and supercurrents in nanowire-based SNS junctions containing Majorana bound states

• Jorge Cayao,
• Annica M. Black-Schaffer,
• Elsa Prada and
• Ramón Aguado

Beilstein J. Nanotechnol. 2018, 9, 1339–1357, doi:10.3762/bjnano.9.127

• energy levels with both spin components. In the strong Zeeman phase, B > μ, one spin sector is completely removed giving rise to a spin-polarized spectrum at low energies as one can indeed observe in Figure 2a. The transition point from weak to strong Zeeman phases is marked by the chemical potential B

• and the energy levels are spin-polarized, giving rise to a set of Zeeman crossings that are not protected. Remarkably, when αR ≠ 0, the low-energy spectrum undergoes a number of important changes, Figure 2c,d. First, the gap closing changes from Δ, Figure 2b, to (bottom panels). Second, a clear

• , the closing and reopening of the induced gap in the spectrum follows exactly the gaps Δ1,2 derived from the continuum (up to some finite-size corrections). Third, the spin-polarized energy spectrum shown in Figure 2b at zero SOC for B > Bc is washed out, keeping only the crossings around zero energy

Valley-selective directional emission from a transition-metal dichalcogenide monolayer mediated by a plasmonic nanoantenna

• Haitao Chen,
• Mingkai Liu,
• Lei Xu and
• Dragomir N. Neshev

Beilstein J. Nanotechnol. 2018, 9, 780–788, doi:10.3762/bjnano.9.71

• polarization [15], valley Hall effect [16], and valley-dependent photogalvanic effect have been explored. Excitonic valley coherence [17], valley- and spin-polarized Landau levels [18] and valley Zeeman effect [19][20][21][22] have also been studied in monolayer TMDCs. Different schemes to control the valley

Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers

• Xiaoli Sun and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2017, 8, 2711–2718, doi:10.3762/bjnano.8.270

• . Simulation Details All the spin-polarized DFT calculations were performed with SIESTA code [62], in which norm-conserving pseudopotentials and a Perdew–Burcke–Ernzerhof functional was used to describe the electron–ion interaction and electron exchange correlation, respectively. Numerical atomic orbits were

Beyond Moore’s technologies: operation principles of a superconductor alternative

• Igor I. Soloviev,
• Nikolay V. Klenov,
• Sergey V. Bakurskiy,
• Mikhail Yu. Kupriyanov,
• Alexander L. Gudkov and
• Anatoli S. Sidorenko

Beilstein J. Nanotechnol. 2017, 8, 2689–2710, doi:10.3762/bjnano.8.269

• ferromagnetic layer(s)) serves for injection of spin-polarized electrons in a common superconducting electrode of both junctions, thus suppressing its superconductivity. This manifests itself as redistribution of the superconducting current flowing through this electrode or as degradation of the critical