The effect of magneto-crystalline anisotropy on the properties of hard and soft magnetic ferrite nanoparticles

• Hajar Jalili,
• Bagher Aslibeiki,
• Ali Ghotbi Varzaneh and
• Volodymyr A. Chernenko

Beilstein J. Nanotechnol. 2019, 10, 1348–1359, doi:10.3762/bjnano.10.133

• increasing magnetic anisotropy with increasing cobalt content. This is due to the gradual occupation of the octahedral sites by cobalt ions and the stronger LS coupling originating from their strong orbital angular momentum [37][38]. The drop of anisotropy in the x = 0.8 sample might be due to the decrease

Fabrication of phase masks from amorphous carbon thin films for electron-beam shaping

• Lukas Grünewald,
• Dagmar Gerthsen and
• Simon Hettler

Beilstein J. Nanotechnol. 2019, 10, 1290–1302, doi:10.3762/bjnano.10.128

• ; Bessel beam; electron-beam shaping; nanofabrication; vortex beam; Introduction The possibility to shape electron beams has gained much interest since the first observation of electron vortex beams, i.e., beams that carry a defined orbital angular momentum [1][2][3]. Various other beam shapes, e.g., non

• (VBs) are of great interest due to their well-defined orbital angular momentum (OAM) with the topological charge l and the Dirac constant The phase of a VB varies azimuthally upon propagation, where l is equal to the number of turns in the wave front per wavelength [27]. In the center of a VB exists

Molecular attachment to a microscope tip: inelastic tunneling, Kondo screening, and thermopower

• Rouzhaji Tuerhong,
• Mauro Boero and
• Jean-Pierre Bucher

Beilstein J. Nanotechnol. 2019, 10, 1243–1250, doi:10.3762/bjnano.10.124

• Discussion Molecule transfer and imaging Figure 1a shows a topographic STM image of MnPc molecules on Au(111) taken with a Au-covered W tip. As seen clearly from the STM image, the MnPc molecules adsorb face-on. The bright protrusion at the center of MnPc is due to the Mn d-orbital states near the Fermi

• mode and the Mn d-orbital, which bears the unpaired spin. The evolution of the spectral asymmetry discussed above is also quite noticeable, being much less pronounced at a gap resistance of 2.1 GΩ than at 0.9 GΩ. Interestingly, both the zero-bias and IETS side peaks are completely and simultaneously

Luminescence of Tb₃Al₅O₁₂ phosphors co-doped with Ce³⁺/Gd³⁺ for white light-emitting diodes

• Yu-Guo Yang,
• Lei Wei,
• Jian-Hua Xu,
• Hua-Jian Yu,
• Yan-Yan Hu,
• Hua-Di Zhang,
• Xu-Ping Wang,
• Bing Liu,
• Cong Zhang and
• Qing-Gang Li

Beilstein J. Nanotechnol. 2019, 10, 1237–1242, doi:10.3762/bjnano.10.123

• calculated through the following equation: where 10Dq is the crystal field splitting parameter, Z is the anion charge, e is the electron charge, r is the radial distance of the d orbital from the nucleus, and R is the bond length [30][31]. Gd3+ has a larger ionic radius than of Tb3+. As a result, the Ce3

Imaging the surface potential at the steps on the rutile TiO₂(110) surface by Kelvin probe force microscopy

• Masato Miyazaki,
• Huan Fei Wen,
• Quanzhen Zhang,
• Yuuki Adachi,
• Jan Brndiar,
• Ivan Štich,
• Yan Jun Li and
• Yasuhiro Sugawara

Beilstein J. Nanotechnol. 2019, 10, 1228–1236, doi:10.3762/bjnano.10.122

• orbital splitting [18] and the Smoluchowski effect [58]. First, we analyze the influence of a tunneling current flowing between the tip and the sample, i.e., a phantom force. The probability of tunneling depends on the atomic site. This may influence the observed CPD value, but it should be excluded as

Green fabrication of lanthanide-doped hydroxide-based phosphors: Y(OH)₃:Eu³⁺ nanoparticles for white light generation

• Tugrul Guner,
• Anilcan Kus,
• Mehmet Ozcan,
• Aziz Genc,
• Hasan Sahin and
• Mustafa M. Demir

Beilstein J. Nanotechnol. 2019, 10, 1200–1210, doi:10.3762/bjnano.10.119

• bandgap of 3.83 eV, some midgap states emerge after the interstitial doping of Eu. The energy bandgap of the host at the vicinity of doped region increases to 4.28 eV. The band and orbital decomposed charge density presented in Figure 5b shows that the midgap state is formed by strongly hybridized Eu and

Quantitative analysis of annealing-induced instabilities of photo-leakage current and negative-bias-illumination-stress in a-InGaZnO thin-film transistors

• Dapeng Wang and
• Mamoru Furuta

Beilstein J. Nanotechnol. 2019, 10, 1125–1130, doi:10.3762/bjnano.10.112

• conduction is insensitive to disorder because the conduction band edge depends on the In s-orbital [1]. However, there is a high density of oxygen-containing trap states (ca. 1020 cm−3) in the region above the valence band [2], which is sensitive to irradiation with light [3]. The typical staggered/coplanar

Synthesis and characterization of quaternary La(Sr)S–TaS₂ misfit-layered nanotubes

• Marco Serra,
• Erumpukuthickal Ashokkumar Anumol,
• Dalit Stolovas,
• Iddo Pinkas,
• Ernesto Joselevich,
• Reshef Tenne,
• Andrey Enyashin and
• Francis Leonard Deepak

Beilstein J. Nanotechnol. 2019, 10, 1112–1124, doi:10.3762/bjnano.10.111

• been discussed in the past [32][35][38]. It was argued that the low work function of the rare earth atom forces it to transfer a charge to the half-filled 4dz2 orbital of the Ta atom. Thus, the MLC gains extra stability by this charge transfer as discussed also in [39]. The question then arises: how

• bond covalency can be also discussed using the crystal orbital overlap populations (COOPs) between atoms. For example, the La–S bonds within LaS part of the (Sr0.05La0.95S)1.11TaS2 misfit are characterized by COOPs in the order of 0.2 e−, while the COOPs for Sr–S bonds within the SrxLa1−xS lattice are

Electronic and magnetic properties of doped black phosphorene with concentration dependence

• Ke Wang,
• Hai Wang,
• Min Zhang,
• Yan Liu and
• Wei Zhao

Beilstein J. Nanotechnol. 2019, 10, 993–1001, doi:10.3762/bjnano.10.100

• . From Figure 4, we can also find that the spin splitting of the 3p orbital near the Fermi level is much stronger than that of the 3s orbital, which reveals the magnetism is mainly induced by the electron spin in 3p orbitals. Meanwhile, one can find that the 3p orbit–spin splitting of Si-doped

Comparing a porphyrin- and a coumarin-based dye adsorbed on NiO(001)

• Sara Freund,
• Antoine Hinaut,
• Nathalie Marinakis,
• Edwin C. Constable,
• Ernst Meyer,
• Catherine E. Housecroft and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2019, 10, 874–881, doi:10.3762/bjnano.10.88

• light in the visible region of the sun spectrum. The photons are absorbed by the dye molecules leading to the excitation of an electron from the highest occupied molecular orbital (HOMO) to the lowest unoccupied molecular orbital (LUMO) of the dye and subsequent injection into the conduction band (CB

• first step towards the design of tandem solar cells with two photoactive electrodes [17][18]. In p-type DSSCs, the charge transfer is in the opposite direction to that in n-type devices. Holes are injected from the highest occupied molecular orbital (HOMO) of the dye to the valence band (VB) of the

Co-doped MnFe₂O₄ nanoparticles: magnetic anisotropy and interparticle interactions

• Bagher Aslibeiki,
• Parviz Kameli,
• Hadi Salamati,
• Giorgio Concas,
• Maria Salvador Fernandez,
• Alessandro Talone,
• Giuseppe Muscas and
• Davide Peddis

Beilstein J. Nanotechnol. 2019, 10, 856–865, doi:10.3762/bjnano.10.86

• general increment of the anisotropy. The Co2+ ions produced a marked magneto-crystalline contribution to the anisotropy in the spinel structure, more than Mn2+ and Mn3+ ions. Indeed, the crystal field does not entirely quench its orbital magnetic moment, allowing for a spin–orbital coupling responsible

Electronic properties of several two dimensional halides from ab initio calculations

• Mohamed Barhoumi,
• Ali Abboud,
• Lamjed Debbichi,
• Moncef Said,
• Torbjörn Björkman,
• Dario Rocca and
• Sébastien Lebègue

Beilstein J. Nanotechnol. 2019, 10, 823–832, doi:10.3762/bjnano.10.82

• with density functional theory (DFT) [27] were conducted to study the physical and chemical properties of bulk BiOX compounds as a complement to experiments [28]. In 2006, Zhang et al. [17] calculated the electronic structure of bulk BiOCl with the tight-binding linear muffin-tin orbital (TB-LMTO) code

Tungsten disulfide-based nanocomposites for photothermal therapy

• Tzuriel Levin,
• Hagit Sade,
• Rina Ben-Shabbat Binyamini,
• Maayan Pour,
• Iftach Nachman and
• Jean-Paul Lellouche

Beilstein J. Nanotechnol. 2019, 10, 811–822, doi:10.3762/bjnano.10.81

• chemistry, thanks to an available valence electron in its 4f orbital. In our group, cerium was utilized in the complex form of ceric ammonium nitrate [(NH4)2Ce(IV)(NO3)6, or CAN]. In CAN the cerium ion is coordinated with six nitrate ligands through their oxygen atoms. CAN is a strong oxidizer, turning

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

• , the binding energy decreases from 2.94 to 0.64 eV. The 1T'-MoS2 monolayer shows stronger trapping ability for Li2Sx than the 2H-MoS2 monolayer. The orbital-decomposed band structures of 2H-MoS2 and 1T'-MoS2 monolayers are shown in Figure 1c and Figure 1d, respectively. The unoccupied lowest conduction

• band of the 2H-MoS2 monolayer at the K point is dominated by the orbital, whereas that of 1T'-MoS2 monolayer is dominated by the dxy and orbitals. As the Li2Sx absorbed on the monolayer, electron transfers from Li2Sx to the unoccupied lowest states of the monolayer. The dxy and orbitals of the 1T

• '-MoS2 monolayer are lower in energy than the orbital of 2H-MoS2, thus leading to a stronger binding. Both 2H-MoS2 and 1T'-MoS2 monolayers show less trapping of S8 with a binding energy of 0.04 eV. The binding energies of Li2Sx on borophene are in the range from −1.00 to −3.00 eV [15] and on Ni-doped

The effect of translation on the binding energy for transition-metal porphyrines adsorbed on Ag(111) surface

• Luiza Buimaga-Iarinca and
• Cristian Morari

Beilstein J. Nanotechnol. 2019, 10, 706–717, doi:10.3762/bjnano.10.70

• widely employed methods to correct SIE in xc classical-approximate functionals is the well-known DFT+U approach [60] (see Supporting Information File 1 for details). We applied the DFT+U corrections to the 3d orbital of the TM atom in all TMPP systems. For J we used the value of 0.2 eV (corresponding to

• ” positions shows that in the bridge position the 3d orbital at 1.3 eV above the Fermi level is relatively localized from an energetically point of view. At the “i” position it interacts with the silver substrate, leading to a very broad density of states that is in the vicinity of the Fermi level

• . Consequently, the spin-down states are occupied and the system has a non-zero magnetic moment. This effect is reversed for the deep orbital at −3.7 eV, which is localized (i.e., no coupling to energy bands of Ag) in the “i” states, while there is a clear interaction with the metallic substrate at the bridge

A carrier velocity model for electrical detection of gas molecules

• Ali Hosseingholi Pourasl,
• Sharifah Hafizah Syed Ariffin,
• Mohammad Taghi Ahmadi,
• Razali Ismail and
• Niayesh Gharaei

Beilstein J. Nanotechnol. 2019, 10, 644–653, doi:10.3762/bjnano.10.64

• armchair graphene nanoribbon based field effect transistor (AGNR-FET) is used as the sensor platform. Modelling and Formalism In this study, AGNR as a 1D carbon material that contains a pair of atoms in the unit cell is incorporated with the assumption that for each carbon atom there is only one orbital

• leading to the following Schrödinger equation [22]: where {ψm or (n)} is a column vector indicating the wave function in unit cell m (or n), Hnm is the Hamiltonian matrix and E is the energy. Based on a theory that uses one orbital (the s orbital) per carbon atom, a 2 × 2 matrix describing the conduction

Coexisting spin and Rabi oscillations at intermediate time regimes in electron transport through a photon cavity

• Vidar Gudmundsson,
• Hallmann Gestsson,
• Nzar Rauf Abdullah,
• Chi-Shung Tang,
• Andrei Manolescu and
• Valeriu Moldoveanu

Beilstein J. Nanotechnol. 2019, 10, 606–616, doi:10.3762/bjnano.10.61

• the z-axis, perpendicular to the two-dimensional quantum wire, inserted to break the spin and possible orbital degeneracies of the states in order to guarantee stability of the results. We use GaAs parameters with m* = 0.067me, κe = 12.4, and g* = −0.44. The small external magnetic field, Bext, and

• single-particle components, their probability distribution in the contact area of the short quantum wire, and depends on their energy and the density of states of the leads at the corresponding energy. The leads are quasi-1D with a sharply peaked density of states near the subband bottoms. Orbital

Quantification and coupling of the electromagnetic and chemical contributions in surface-enhanced Raman scattering

• Yarong Su,
• Yuanzhen Shi,
• Ping Wang,
• Jinglei Du,
• Markus B. Raschke and
• Lin Pang

Beilstein J. Nanotechnol. 2019, 10, 549–556, doi:10.3762/bjnano.10.56

• a largely only intramolecular nuclear motion that is not simultaneously IR active. This has been suggested to give rise to an only minimal change in deformation potential, i.e., a negligible change in the molecular frontier orbital energy [14][15][16][17]. Choosing such a vibrational mode as an

Integration of LaMnO_3+δ films on platinized silicon substrates for resistive switching applications by PI-MOCVD

• Raquel Rodriguez-Lamas,
• Dolors Pla,
• Odette Chaix-Pluchery,
• Benjamin Meunier,
• Fabrice Wilhelm,
• Andrei Rogalev,
• Laetitia Rapenne,
• Xavier Mescot,
• Quentin Rafhay,
• Hervé Roussel,
• Michel Boudard,
• Carmen Jiménez and
• Mónica Burriel

Beilstein J. Nanotechnol. 2019, 10, 389–398, doi:10.3762/bjnano.10.38

• the orthorhombic mode. At higher wavenumbers, a shift can be observed from the Ag and B2g orthorhombic modes centred at 495 and 614 cm−1, respectively, to the broad Jahn–Teller bands characteristic of mixed-valence manganites with Mn3+/Mn4+ charge and orbital disorder [30], i.e., the first one at ca

Transport signatures of an Andreev molecule in a quantum dot–superconductor–quantum dot setup

• Zoltán Scherübl,
• András Pályi and
• Szabolcs Csonka

Beilstein J. Nanotechnol. 2019, 10, 363–378, doi:10.3762/bjnano.10.36

• splitter device. The setup is shown in Figure 1a. It consists of two QDs, each of them tunnel-coupled to its own normal (N) lead, and a common superconducting lead (SC). The Hamiltonian of the system is: We assume that the level spacings of the dots are large, i.e., each QD has a single spinful orbital

Nitrous oxide as an effective AFM tip functionalization: a comparative study

• Taras Chutora,
• Bruno de la Torre,
• Pingo Mutombo,
• Jack Hellerstedt,
• Jaromír Kopeček,
• Pavel Jelínek and
• Martin Švec

Beilstein J. Nanotechnol. 2019, 10, 315–321, doi:10.3762/bjnano.10.30

• shows the four peripheral benzene rings, the inner pyrrole groups and a signature of the metal atom at the center. In the STM images both tips detect a dominating electron tunneling contribution of the central Fe molecular orbital at the Fermi level [31] and also the overall shape of the molecule. The

Two-dimensional semiconductors pave the way towards dopant-based quantum computing

• José Carlos Abadillo-Uriel,
• Belita Koiller and
• María José Calderón

Beilstein J. Nanotechnol. 2018, 9, 2668–2673, doi:10.3762/bjnano.9.249

• four possible orbital states (see Supporting Information File 1). We label the expectation values of the Hamiltonian for these states in increasing order E1, E2, E3 and E4, and assign a spin hamiltonian to this problem if such that only the two lowest levels are relevant at low temperatures, and the

Directional light beams by design from electrically driven elliptical slit antennas

• Shuiyan Cao,
• Eric Le Moal,
• Quanbo Jiang,
• Aurélien Drezet,
• Serge Huant,
• Jean-Paul Hugonin,
• Gérald Dujardin and
• Elizabeth Boer-Duchemin

Beilstein J. Nanotechnol. 2018, 9, 2361–2371, doi:10.3762/bjnano.9.221

• ., elliptical spirals, in order to control the optical orbital angular moment of the emitted light beams [50][51]. Experimental Figure 10 shows a schematic representation of the experimental setup. It consists of a commercial STM head (JPK Instruments, NanoWizard 3) mounted on top of an inverted optical

Intrinsic ultrasmall nanoscale silicon turns n-/p-type with SiO₂/Si₃N₄-coating

• Dirk König,
• Daniel Hiller,
• Noël Wilck,
• Birger Berghoff,
• Merlin Müller,
• Sangeeta Thakur,
• Giovanni Di Santo,
• Luca Petaccia,
• Joachim Mayer,
• Sean Smith and
• Joachim Knoch

Beilstein J. Nanotechnol. 2018, 9, 2255–2264, doi:10.3762/bjnano.9.210

• without doping, thereby avoiding all dopant-related issues mentioned above. Such conductivity can be induced by an energy offset (ΔE) of the same electronic states (lowest unoccupied molecular orbital (LUMO) or highest occupied molecular orbital (HOMO)) between different regions of the same usn-Si system

• of information on h-DFT accuracy as compared to experiment, details of UPS measurements and NEGF are contained in Supporting Information File 1. Experimental h-DFT material calculations Hybrid-DFT calculations were carried out in real space with a molecular orbital basis set (MO-BS) and both Hartree

The role of adatoms in chloride-activated colloidal silver nanoparticles for surface-enhanced Raman scattering enhancement

• Nicolae Leopold,
• Andrei Stefancu,
• Krisztian Herman,
• István Sz. Tódor,
• Stefania D. Iancu,
• Vlad Moisoiu and
• Loredana F. Leopold

Beilstein J. Nanotechnol. 2018, 9, 2236–2247, doi:10.3762/bjnano.9.208

• cross-section of the adsorbed molecule. The charge-transfer electronic transition can be explained as follows [8][12][13][14]: The chemical mechanism of SERS involves the absorption of a photon and the excitation of an electron from the Fermi level of the metallic nanoparticle (M) to the LUMO orbital