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Using first-principles density functional theory calculations, we find a strong position and thickness dependence of the formation energy of oxygen vacancies in LaAlO3|SrTiO3 (LAO|STO) multilayers and interpret this with an analytical…

材料科学 · 物理学 2010-11-01 Zhicheng Zhong , P. X. Xu , Paul J. Kelly

We propose a simple analytical model to explain possible appearance of the metallic conductivity in the two-dimensional (2D) LaAlO$_3$/SrTiO$_3$ interface. Our model considers the interface within a macroscopic approach which is usual to…

材料科学 · 物理学 2016-01-20 V. A. Stephanovich , V. K. Dugaev

Recently, it was established that a two-dimensional electron system can arise at the interface between two oxide insulators LaAlO3 and SrTiO3. This paradigmatic example exhibits metallic behaviour and magnetic properties between…

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,…

材料科学 · 物理学 2016-10-28 Eric Tea , Jianqiu Huang , Celine Hin

Electronic, lattice, and spin interactions at the interfaces between crystalline complex transition metal oxides can give rise to a wide range of functional electronic and magnetic phenomena not found in bulk. At hetero-interfaces, these…

强关联电子 · 物理学 2017-08-03 S. Koohfar , A. S. Disa , M. Marshall , F. J. Walker , C. H. Ahn , D. P. Kumah

The introduction of manganite buffer layers, La7/8Sr1/8MnO3 (LSMO) in particular, at the metallic interface between SrTiO3 (STO) and another band insulator suppresses the carrier density of the interfacial two-dimensional electron gas…

材料科学 · 物理学 2017-10-24 Y. Z. Chen , M. Döbeli , E. Pomjakushina , Y. L. Gan , N. Pryds , T. Lippert

Interfaces between (110) and (111)SrTiO3 (STO) single crystalline substrates and amorphous oxide layers, LaAlO3 (a-LAO), Y:ZrO2 (a-YSZ), and SrTiO3 (a-STO) become conducting above a critical thickness tc. Here we show that tc for a-LAO is…

The mechanism responsible for the extraordinary interface conductivity of LaAlO$_{3}$ on SrTiO$_{3}$ and its insulator-metal transition remains controversial. Here, using density functional theory calculations, we establish a comprehensive…

强关联电子 · 物理学 2015-07-21 Jun Zhou , Teguh Citra Asmara , Ming Yang , George A. Sawatzky , Yuan Ping Feng , Andrivo Rusydi

Complex oxide functionality, such as ferroelectricity, magnetism or superconductivity is often achieved in epitaxial thin-film geometries. Oxygen vacancies tend to be the dominant type of defect in these materials but a fundamental…

材料科学 · 物理学 2022-02-23 Moloud Kaviani , Ulrich Aschauer

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…

强关联电子 · 物理学 2008-09-08 M. Huijben , A. Brinkman , G. Koster , G. Rijnders , H. Hilgenkamp , D. H. A. Blank

Oxide heterostructures have shown rich physics phenomena, particularly in the conjunction of exotic insulator-metal transition (IMT) at the interface between polar insulator LaAlO3 and non-polar insulator SrTiO3 (LaAlO3/SrTiO3).…

We report that in unannealed LaAlO3/SrTiO3 (LAO/STO) heterostructures the critical thickness for the appearance of the two-dimensional electron gas can be less than 4 unit cell (uc), the interface is conducting even for STO substrates with…

材料科学 · 物理学 2014-02-04 Z. Q. Liu , L. Sun , Z. Huang , C. J. Li , S. W. Zeng , K. Han , W. M. Lü , T Venkatesan , Ariando

Understanding the role of defects in oxide heterostructures is crucial for future materials control and functionalization. We hence study the impact of oxygen vacancies (OVs) at variable concentrations on orbital- and spin exchange in the…

材料科学 · 物理学 2015-10-13 Malte Behrmann , Frank Lechermann

We investigated the role of oxygen vacancy in n-type interface of LaAlO3 (LAO) overlayer on SrTiO3 (STO) (001) by carrying out density-functional-theory calculations. Comparing the total energies of the configurations with one vacancy in…

材料科学 · 物理学 2009-12-25 Yun Li , S. Na Phattalung , S. Limpijumnong , Jaejun Yu

The interface between LaAlO3 and SrTiO3 hosts a two-dimensional electron system of itinerant carriers, although both oxides are band insulators. Interface ferromagnetism coexisting with superconductivity has been found and attributed to…

The discovery that the interface between two band gap insulators LaAlO3 and SrTiO3 is highly conducting has raised an enormous interest in the field of oxide electronics. The LAlO3/SrTiO3 interface can be tuned using an electric field and…

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…

材料科学 · 物理学 2009-11-13 Hanghui Chen , Alexie M. Kolpak , Sohrab Ismail-Beigi

We present first-principles calculations of the structural and electronic properties of Si(001)-SiO2 interfaces. We first arrive at reasonable structures for the c-Si/a-SiO2 interface via a Monte-Carlo simulated annealing applied to an…

材料科学 · 物理学 2009-10-31 Kwok-On Ng , David Vanderbilt

Interface engineering is an extremely useful tool for systematically investigating materials and the various ways materials interact with each other. We describe different interface engineering strategies designed to reveal the origin of…

材料科学 · 物理学 2016-09-19 Hans Boschker , Zhaoliang Liao , Mark Huijben , Gertjan Koster , Guus Rijnders

SrHfO3 is a potential dielectric material for metal-oxide-semiconductor (MOS) devices. SrHfO3/GaAs interface has attracted attention due to its unique properties. In this paper, the interface properties of (001) SrHfO3/GaAs are investigated…

材料科学 · 物理学 2018-02-14 Li-Bin Shi , Xiao-Ming Xiu , Xu-Yang Liu , Kai-Cheng Zhang , Chun-Ran Li , Hai-Kuan Dong
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