Using support vector regression for the prediction of the band gap and melting point of binary and ternary compound semiconductors

被引：67

作者：

Gu, TH ^{[1
]}

Lu, WC ^{[1
]}

Bao, XH ^{[1
]}

Chen, NY ^{[1
]}

机构：

[1] Shanghai Univ, Coll Sci, Dept Chem, Shanghai 200444, Peoples R China

来源：

SOLID STATE SCIENCES | 2006年 / 8卷 / 02期

基金：

中国国家自然科学基金;

关键词：

semiconductor; band gap; melting point; support vector regression; atomic parameters;

D O I：

10.1016/j.solidstatesciences.2005.10.011

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

In this work, atomic parameters support vector regression (APSVR) was proposed to predict the band gap and melting point of III-V, II-VI binary and I-III-VI2, II-IV-V-2 ternary compound semiconductors. The predicted results of APSVR were in good agreement with the experimental ones. The prediction accuracies of different models were discussed on the basis of their mean error functions (MEF) in the leave-one-out cross-validation. It was found that the performance of APSVR model outperformed those of back propagation-artificial neural network (BP-ANN), multiple linear regression (MLR) and partial least squares regression (PLSR) methods. (c) 2005 Elsevier SAS. All rights reserved.

引用

页码：129 / 136

页数：8

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