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The electronic and magnetic properties of Fe/GaAs(001) magnetic junctions are investigated using first-principles density-functional calculations. Abrupt and intermixed interfaces are considered, and the dependence of charge transfer,…

Other Condensed Matter · Physics 2009-11-11 D. O. Demchenko , Amy Y. Liu

At semiconductor-metal junctions, the Schottky barrier height is generally fixed by "Fermi-level pinning". We find that when a semiconducting carbon nanotube is end-contacted to a metal (the optinal geometry for nanodevices), the behavior…

Condensed Matter · Physics 2009-10-31 Francois Leonard , J. Tersoff

Ab-initio calculations have been used to study the influence of the interface morphology and, notably, of the exchange reaction on the electronic properties of Al/GaN (100) interfaces. In particular, the effects of interface structure (i.e.…

Materials Science · Physics 2009-10-31 S. Picozzi , A. Continenza , S. Massidda , A. J. Freeman , N. Newman

Using a first-principle pseudopotential approach, we have investigated the Schottky barrier heights of abrupt Al/Ge, Al/GaAs, Al/AlAs, and Al/ZnSe (100) junctions, and their dependence on the semiconductor chemical composition and surface…

Materials Science · Physics 2007-05-23 C. Berthod , N. Binggeli , A. Baldereschi

The physical origin of Fermi level pinning (FLP) at metal/Ge interfaces has been argued over a long period. Using the Fe$_{3}$Si/Ge(111) heterostructure developed originally, we can explore electrical transport properties through atomically…

Mesoscale and Nanoscale Physics · Physics 2012-01-31 K. Kasahara , S. Yamada , K. Sawano , M. Miyao , K. Hamaya

To investigate the role of the interface state on the physical properties of Schottky contacts, Co/n-Ge Schottky diodes that have undergone various cleaning methods (HF etching and in-situ thermal cleaning) were studied by Transmission…

Materials Science · Physics 2013-06-04 Luc Lajaunie , Marie-Laure David , Jean-François Barbot

It is demonstrated that the electric dipole layer due to the overlapping of electron wavefunctions at metal/graphene contact results in negative Fermi-level pinning effect on the region of GaAs surface with low interface-trap density in…

Mesoscale and Nanoscale Physics · Physics 2022-08-18 Hoon Hahn Yoon , Wonho Song , Sungchul Jung , Junhyung Kim , Kyuhyung Mo , Gahyun Choi , Hu Young Jeong , Jong Hoon Lee , Kibog Park

We use electronic transport and atom probe tomography to study ZnO:Al / SiO2 / Si Schottky junctions on lightly-doped n- and p-type Si. We vary the carrier concentration in the the ZnO:Al films by two orders of magnitude but the Schottky…

Materials Science · Physics 2016-10-05 R. Jaramillo , Amanda Youssef , Austin Akey , Frank Schoofs , Shriram Ramanathan , Tonio Buonassisi

We present ab-initio local density FLAPW calculations on non-reactive N-terminated [001] ordered GaN/Ag and GaN/Au interfaces and compare the results (such as metal induced gap states and Schottky barrier heights) with those obtained for…

Materials Science · Physics 2009-10-31 S. Picozzi , A. Continenza , G. Satta , S. Massidda , A. J. Freeman

In order to investigate the interface termination dependence of perovskite band alignments, we have studied the Schottky barrier height at La$_{0.7}$Sr$_{0.3}$MnO$_3$/Nb:SrTiO$_3$ (001) heterointerfaces. As the Nb:SrTiO$_3$ semiconductor…

Strongly Correlated Electrons · Physics 2009-11-13 Yasuyuki Hikita , Mitsuru Nishikawa , Takeaki Yajima , Harold Y. Hwang

Schottky contacts (SC) at the ferromagnet/ZnO interface are good candidates for the realization and control of several semiconductor emerging magnetic phenomena such spin injection and spin-controlled photonics. In this work, we demonstrate…

Materials Science · Physics 2024-01-17 Mohamed Belmoubarik

An atomistic insight into potential barrier formation and band bending at the interface between a metal and an n-type semiconductor is achieved by ab initio simulations and model analysis of a prototype Schottky diode, i.e., niobium doped…

Mesoscale and Nanoscale Physics · Physics 2015-06-17 Yang Jiao , Anders Hellman , Yurui Fang , Shiwu Gao , Mikael Käll

The Schottky barrier heights (SBHs) of defect-free interfaces of ZnO, CdO, MgO and SrO with various metals and different terminations are investigated by density functional supercell calculations. The oxide bands are corrected for their…

Materials Science · Physics 2021-05-19 Jiaqi Chen , Zhaofu Zhang , Yuzheng Guo , John Robertson

The Schottky barrier of a metal-semiconductor junction is one of the key quantities affecting the charge transport in a transistor. The Schottky barrier height depends on several factors, such as work function difference, local atomic…

Mesoscale and Nanoscale Physics · Physics 2020-12-09 Line Jelver , Daniele Stradi , Kurt Stokbro , Karsten Wedel Jacobsen

Accurate prediction of Schottky barrier heights (SBHs) at metal-semiconductor (M-SC) interfaces is essential for understanding and optimizing charge injection in electronic and optoelectronic devices. However, first-principles calculations…

Materials Science · Physics 2026-03-10 Viviana Dovale-Farelo , Kamal Choudhary

The newly emerging class of atomically-thin materials has shown a high potential for the realisation of novel electronic and optoelectronic components. Amongst this family, semiconducting transition metal dichalcogenides (TMDCs) are of…

Mesoscale and Nanoscale Physics · Physics 2018-03-13 Nicola J. Townsend , Iddo Amit , Monica F. Craciun , Saverio Russo

Electrical properties of metal-semiconductor (M/SC) and metal/oxide/SC structures built with Zr or ZrO\_2 deposited on oxygen-terminated surfaces of (001)-oriented diamond films, comprising a stack of lightly p-doped diamond on a heavily…

We present a unified bond dipole theory for metal-semiconductor interfaces to explain the microscopic origin of interface dipoles and Fermi level pinning (FLP) in terms of Harrison's bond-orbital model. By combining first-principles…

Materials Science · Physics 2025-11-27 Ziying Xiang , Jun-Wei Luo , Shu-Shen Li

Graphene based transistors relying on a conventional structure cannot switch properly because of the absence of an energy gap in graphene. To overcome this limitation, a barristor device was proposed, whose operation is based on the…

Mesoscale and Nanoscale Physics · Physics 2016-11-03 Ferney A. Chaves , David Jiménez

The Schottky barrier height (SBH) is mapped with nanoscale resolution at pure Au/Si(001) and mixed Au/Ag/Si(001) interfaces utilizing ballistic electron emission microscopy (BEEM) by acquiring and fitting spectra every 11.7 nm over a 1…

Mesoscale and Nanoscale Physics · Physics 2014-11-04 Robert Balsano , Chris Durcan , Akitomo Matsubayashi , Vincent P. LaBella
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