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A number of electronic devices involve metal/oxide interfaces in their structure where the oxide layer plays the role of electrical insulator. As the downscaling of devices continues, the oxide thickness can spread over only a few atomic…

Materials Science · Physics 2017-04-26 Eric Tea , Jianqiu Huang , Guanchen Li , Celine Hin

Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…

We investigate how different interface geometries of an Al/Al$_2$O$_3$ junction, a common component of modern tunnel devices, affect electron transport through the tunnel barrier. We study six distinct Al/Al$_2$O$_3$ interfaces which differ…

Mesoscale and Nanoscale Physics · Physics 2016-03-23 M Koberidze , A V Feshchenko , M J Puska , R M Nieminen , J P Pekola

The electronic properties of interfaces between two different solids can differ strikingly from those of the constituent materials. For instance, metallic conductivity, and even superconductivity, have been recently discovered at interfaces…

Materials Science · Physics 2009-11-13 H. Dias Alves , A. S. Molinari , H. Xie , A. F. Morpurgo

The alpha/beta interface in Ti-6Al-2Sn-4Zr-6Mo (Ti-6246) is investigated via centre of symmetry analysis, both as-grown and after 10% cold work. Semi-coherent interface steps are observed at a spacing of 4.5 +/-1.13 atoms in the as-grown…

Here, we quantitatively determine the impact of III-V/Si interface atomic configuration on the wetting properties of the system. Based on a description at the atomic scale using density functional theory, we first show that it is possible…

Materials Science · Physics 2023-08-22 S. Pallikkara Chandrasekharan , I. Lucci , D. Gupta , C. Cornet , L. Pedesseau

Amorphous insulating oxides play a significant role in the contemporary electronic industry. Understanding the band alignment of heterogeneous interfaces containing amorphous structures helps to better control the carrier transport property…

Materials Science · Physics 2017-05-17 Jianqiu Huang , Fei Lin , Celine Hin

We present an ab initio study of the (001) interfaces between two insulating perovskites, the polar LaAlO3 and the nonpolar SrTiO3. We observe an insulating-to-metallic transition above a critical LaAlO3 thickness. We explain that the high…

Materials Science · Physics 2009-11-13 Hanghui Chen , Alexie M. Kolpak , Sohrab Ismail-Beigi

A large variety of transport properties have been observed at the interface between the insulating oxides SrTiO3 and LaAlO3 such as insulation, 2D interface metallicity, 3D bulk metallicity, Kondo scattering, magnetism and…

Strongly Correlated Electrons · Physics 2008-09-08 M. Huijben , A. Brinkman , G. Koster , G. Rijnders , H. Hilgenkamp , D. H. A. Blank

On the basis of ab-initio total-energy electronic-structure calculations, we find that interface localized electron states at the SiC/SiO$_2$ interface emerge in the energy region between 0.3 eV below and 1.2 eV above the bulk…

Materials Science · Physics 2017-11-22 Yu-ichiro Matsushita , Atsushi Oshiyama

Atom specific valence electronic structures at interface are elucidated successfully using soft x-ray absorption and emission spectroscopy. In order to demonstrate the versatility of this method, we investigated SiO2/Si interface as a…

The dielectric breakdown at metal-oxide interfaces is a critical electronic device failure mechanism. Electronic tunneling through dielectric layers is a well-accepted explanation for this phenomenon. Theoretical band alignment studies,…

Materials Science · Physics 2016-10-28 Eric Tea , Jianqiu Huang , Celine Hin

The structural and electronic properties of interfaces between beta-SiC and III-V semiconductors are studied by first-principles calculations. Favorable bonding configurations are found to form between Si-V and C-III (model A) for BN, AlN,…

Materials Science · Physics 2009-11-07 Jin-Cheng Zheng , Hui-Qiong Wang , A. T. S. Wee , C. H. A. Huan

We show that the growth of the heterostructure LaGaO3/SrTiO3 yields the formation of a highly conductive interface. Our samples were carefully analyzed by high resolution electron microscopy, in order to assess their crystal perfection and…

Semiconductor-superconductor hybrid systems have outstanding potential for emerging high-performance nanoelectronics and quantum devices. However, critical to their successful application is the fabrication of high-quality and reproducible…

We report a study on the interface between polar high-k materials and the Si(001)-(2X1) reconstructed surface with LaAlO3 taken as a prototype material. The construction of the interface is based on the prior growth of metal lines followed…

Materials Science · Physics 2015-06-25 Isabelle Devos , Pierre Boulenc

We present the electronic band structure of the interfaces $YBa_2Cu_3O_7/GaAs$ (direct gap) and $YBa_2Cu_3O_7/AlAs$ (indirect gap) in different configurations calculated using the Density Functional Theory as in the Wien2k code within the…

Materials Science · Physics 2012-08-08 R. Torres , R. Baquero

We discuss the applicability of the pseudopotential-like self-interaction correction (pSIC) to the study of defect energetics and electronic structure of In2O3. Our results predict that substitutional (at oxygen sites) and interstitial (at…

Materials Science · Physics 2016-06-24 Juan J. Meléndez , Małgorzata Wierzbowska

We present the evidence of the low defect density at Ge/GeO$_2$ interfaces in terms of first-principles total energy calculations. The energy advantages of the atom emission from the Ge/GeO$_2$ interface to release the stress due to the…

Materials Science · Physics 2015-05-13 Shoichiro Saito , Takuji Hosoi , Heiji Watanabe , Tomoya Ono

2D electron gases (2DEGs) formed at oxide interfaces provide a rich testbed for fundamental physics and device applications. While the discussion of the physical origins of this phenomenon continues, the recent discovery of oxide 2DEGs at…

Materials Science · Physics 2018-08-01 Dana Cohen-Azarzar , Maria Baskin , Lior Kornblum