Investigation on transport property of In2O3 molecular device A first-principles study

被引：15

作者：

Deekshitha, M. ^{[1
]}

Srivastava, Anurag ^{[2
]}

Chandiramouli, R. ^{[3
]}

机构：

[1] SASTRA Univ, Sch Chem & Biotechnol Engn, Tirumalaisamudram 613401, Thanjavur, India

[2] ABV Indian Inst Informat Technol & Management Gwa, Adv Mat Res Grp, Computat Nanosci & Technol Lab, Gwalior 474015, India

[3] SASTRA Univ, Sch Elect & Elect Engn, Tirumalaisamudram 613401, Thanjavur, India

来源：

MICROELECTRONIC ENGINEERING | 2016年 / 151卷

关键词：

Indium oxide; Molecular device; Density of states; Electron density; Band structure; ELECTRONIC TRANSPORT; BAND-STRUCTURE; GROWTH; FILMS; OXIDE; PERFORMANCE; ADSORPTION; NANOSHEET; MECHANISM; NANORODS;

D O I：

10.1016/j.mee.2015.11.010

中图分类号：

TM [电工技术]; TN [电子技术、通信技术];

学科分类号：

0808 ; 0809 ;

摘要：

The band structures and the electronic transport properties of In2O3 molecular device are studied with GGA/PBE exchange correlation functional using the Density Functional Theory (DFT). The band structure of In2O3 nano structure exhibits the semiconducting behavior. The electron density is less in the indium sites than in the oxygen sites. The localization of charges is envisioned using density of states spectrum. The device density of states of In2O3 molecular device infers that the density of charges can be fine-tuned by increasing the bias voltage in the energy intervals. The transmission spectrum is used to study the transport properties of In2O3 molecular device. The possible transmission paths along In2O3 scattering region are visualized using transmission pathways. The finding of the present work gives the insight on In2O3 molecular device, which can be used as chemical sensors in the detection of toxic gases. (C) 2015 Elsevier B.V. All rights reserved.

引用

页码：1 / 6

页数：6

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