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

• heterojunction; armchair boron nitride nanoribbon (ABNNR); armchair graphene nanoribbon (AGNR); negative differential resistance (NDR); nonequilibrium Green’s function (NEGF); resonant tunneling diode (RTD); substitutional defects; Introduction 2D materials have gained tremendous research interest due to the

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

• ) generalized gradient approximation (GGA). A Monkhorst–Pack grid of 13 × 13 × 1 for k-point sampling, a self-consistent field (SCF) convergence criterion of 1 × 10−5 eV, and a plane-wave basis cutoff energy of 550 eV were applied. The Keldysh nonequilibrium Green’s function (NEGF) theory, as implemented in

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

• states (DOS) when embedded in SiO2 or Si3N4. We use further h-DFT results of a Si-nanowire (NWire) covered in SiO2 and Si3N4 to examine the device behaviour of an undoped Si-NWire FET based solely on CMOS-compatible materials (e.g., Si, SiO2, Si3N4) using the nonequilibrium Green’s function (NEGF

• for nonequilibrium Green’s function (NEGF) transport simulation of undoped Si-nanowire MISFET devices and details on NEGF device simulations. Supporting Information File 162: Further discussion and data of h-DFT, UPS, and NEGF simulations. Acknowledgements D. K. acknowledges use of Leonardi mainframe

Thermoelectricity in molecular junctions with harmonic and anharmonic modes

• Bijay Kumar Agarwalla,
• Jian-Hua Jiang and
• Dvira Segal

Beilstein J. Nanotechnol. 2015, 6, 2129–2139, doi:10.3762/bjnano.6.218

• harmonic-mode junction (Equation 4) can be derived using the nonequilibrium Green’s function (NEGF) technique [40][41] assuming weak interaction between electrons and the particular vibration, employing the random phase approximation (RPA) [39][42]. This scheme involves a summation over a particular set