Atomic and electronic structure of the Si/SrTiO3 interface -: art. no. 125323

被引：114

作者：

Zhang, X

Demkov, AA

Li, H

Hu, X

Wei, Y

Kulik, J

机构：

[1] Motorola Inc, Phys Sci Res Labs, Tempe, AZ 85284 USA

[2] Motorola Inc, Semicond Prod Sector, Tempe, AZ 85284 USA

来源：

PHYSICAL REVIEW B | 2003年 / 68卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.68.125323

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We predict theoretically the wetting conditions for the layer-by-layer growth of thin SrTiO3 (STO) films on Si. The result is in agreement with our recent experiments. The state of the art band offset calculations identify two different possibilities for the band alignment at the Si-STO interface. A very small conduction band offset is predicted for the structure without the chemically induced localization at the interface, and a 0.9 eV conduction band offset is predicted for the structure with chemically induced localized interface states.

引用

页数：6

共 29 条

[1]

[Anonymous], UNPUB

[2] Band discontinuities at epitaxial SrTiO3/Si(001) heterojunctions [J].

Chambers, SA ;

Liang, Y ;

Yu, Z ;

Droopad, R ;

Ramdani, J ;

Eisenbeiser, K .

APPLIED PHYSICS LETTERS, 2000, 77 (11) :1662-1664

[3] Theoretical and experimental investigation of ultrathin oxynitrides and the role of nitrogen at the Si-SiO2 interface [J].

Demkov, AA ;

Liu, R ;

Zhang, XD ;

Loechelt, H .

JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B, 2000, 18 (05) :2388-2394

[4]

Demkov AA, 2001, PHYS STATUS SOLIDI B, V226, P57, DOI 10.1002/1521-3951(200107)226:1<57::AID-PSSB57>3.0.CO

[5]

2-L

[6] Field effect transistors with SrTiO3 gate dielectric on Si [J].

Eisenbeiser, K ;

Finder, JM ;

Yu, Z ;

Ramdani, J ;

Curless, JA ;

Hallmark, JA ;

Droopad, R ;

Ooms, WJ ;

Salem, L ;

Bradshaw, S ;

Overgaard, CD .

APPLIED PHYSICS LETTERS, 2000, 76 (10) :1324-1326

[7] Spin-chirality duality in a spin ladder with four-spin cyclic exchange [J].

Hikihara, T ;

Momoi, T ;

Hu, X .

PHYSICAL REVIEW LETTERS, 2003, 90 (08) :4

[8] AB-INITIO MOLECULAR-DYNAMICS SIMULATION OF THE LIQUID-METAL AMORPHOUS-SEMICONDUCTOR TRANSITION IN GERMANIUM [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1994, 49 (20) :14251-14269

[9] Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set [J].

Kresse, G ;

Furthmuller, J .

PHYSICAL REVIEW B, 1996, 54 (16) :11169-11186

[10] ABINITIO MOLECULAR-DYNAMICS FOR LIQUID-METALS [J].

KRESSE, G ;

HAFNER, J .

PHYSICAL REVIEW B, 1993, 47 (01) :558-561

← 1 2 3 →