Adhesion of electrodes on diamond (111) surface: A DFT study

被引：13

作者：

Ichibha, Tom ^{[1
]}

Hongo, Kenta ^{[2
,3
,4
]}

Motochi, I. ^{[5
]}

Makau, N. W. ^{[6
]}

Amolo, G. O. ^{[7
]}

Maezono, Ryo ^{[2
]}

机构：

[1] JAIST, Sch Mat Sci, Asahidai 1-1, Nomi, Ishikawa 9231292, Japan

[2] JAIST, Sch Informat Sci, Asahidai 1-1, Nomi, Ishikawa 9231292, Japan

[3] Natl Inst Mat Sci, Tsukuba, Ibaraki, Japan

[4] JST, PRESTO, Kawaguchi, Saitama, Japan

[5] Maasal Mara Univ, Dept Math & Phys Sci, Narok, Kenya

[6] Univ Eldoret, Dept Phys, Computat Mat Sci Grp, POB 1125-30100, Eldoret, Kenya

[7] Tech Univ Kenya, Dept Phys & Space Sci, POB 52428-00200, Nairobi, Kenya

来源：

基金：

日本科学技术振兴机构;

关键词：

Electrodes on diamond device; Surface termination; Power device; OHMIC CONTACTS; GROWTH; NICKEL; INTERFACES; HYDROGEN;

D O I：

10.1016/j.diamond.2017.12.008

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We explore possible candidates for metallic electrodes of diamond semiconductor from twenty kinds of metallic sheets on oxygen- or hydrogen-terminated diamond (111) surface as well as pristine one. Their adhesion strengths and electric characteristics of contacts (ie. either Ohmic, Schottky or neither) are both considered as figures of merit. The former is measured as work of separation, W-sep, obtained from density functional theory (DFT) simulations. The latter is inferred from DOS (density of states) analysis based on DFT, by checking whether or not the in-gap peak disappears and if there is a large DOS around the Fermi level. We found that (1) Ti on pristine surface has both the best Ohmic contact and fairly strong adhesion and (2) Ti and Cr on oxygenated surfaces have the strongest adhesion with good Schottky contact.

引用

页码：168 / 175

页数：8

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