Atomic and Electronic Structure of the Al2O3/Ti5Si3 Interface

被引：0

作者：

Chumakova, L. S. ^{[1
]}

Bakulin, A. V. ^{[2
]}

Kulkova, S. E. ^{[1
,2
]}

机构：

[1] Russian Acad Sci, Inst Strength Phys & Mat Sci, Siberian Branch, Tomsk 634055, Russia

[2] Natl Res Tomsk State Univ, Tomsk 634050, Russia

来源：

PHYSICS OF PARTICLES AND NUCLEI LETTERS | 2023年 / 20卷 / 05期

关键词：

HIGH-TEMPERATURE OXIDATION; BEHAVIOR; SI;

D O I：

10.1134/S1547477123050217

中图分类号：

O412 [相对论、场论]; O572.2 [粒子物理学];

学科分类号：

摘要：

The atomic and electronic structure of the Al2O3/Ti5Si3 interface has been calculated for the first time by the method of projected augmented waves within the electron density functional theory. The values of the adhesion energy are determined depending on the cleavage plane. It is shown that the work of separation obtained for the plane passing through the interplanar distance closest to the interface in titanium silicide is significantly less than that at the interface.

引用

页码：1135 / 1137

页数：3

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