Changes in the geometric structure and hydrogen-termination modify the electronic and optical properties of porous silicon

被引：5

作者：

Hikita, Yuya ^{[1
]}

Padama, Allan Abraham B. ^{[2
]}

Rittiruam, Meena ^{[3
,4
]}

David, Melanie Y. ^{[5
,6
]}

Seetawan, Tosawat ^{[3
,4
]}

Kobayashi, Hikaru ^{[7
]}

Dino, Wilson Agerico ^{[1
,8
]}

机构：

[1] Osaka Univ, Dept Appl Phys, Suita, Osaka 5650871, Japan

[2] Univ Philippines, Inst Math Sci & Phys, Coll Arts & Sci, Los Banos 4031, Philippines

[3] Sakon Nakhon Rajabath Univ, Fac Sci & Technol, Program Phys, Sakon Nakhon 47000, Thailand

[4] Sakon Nakhon Rajabath Univ, Res Dev Inst, Ctr Excellence Alternat Energy, Simulat Res Lab, Sakon Nakhon 47000, Thailand

[5] De La Salle Univ, Phys Dept, 2401 Taft Ave, Manila 0922, Philippines

[6] De La Salle Univ, Ctr Nat Sci & Environm, ANIMoS Res Unit, 2401 Taft Ave, Manila 0922, Philippines

[7] Osaka Univ, Inst Sci & Ind Res, 8-1 Mihogaoka, Ibaraki 5670047, Japan

[8] Osaka Univ, Ctr Atom & Mol Technol, Suita, Osaka 5650871, Japan

来源：

OPTIK | 2020年 / 224卷

关键词：

Porous silicon; Hydrogen termination; Optical properties; Electronic properties; Density functional theory;

D O I：

10.1016/j.ijleo.2020.165539

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Here, we show that the electronic and optical properties of silicon (Si) can be controlled by varying the amount of dangling bonds and the number of Si-Si bonds in the system. By introducing pores in the bulk (in the form of Si vacancies), we can induce the appearance of gap states (states in the energy gap/forbidden region) in porous Si (pSi), as compared to pure Si. Terminating the Si atoms in the pores with hydrogen atoms (H) induces the disappearance of these induced gap states (IGS). As a result, we can continuously decrease (increase) the corresponding refractive indices of both pSi and H-terminated pSi by increasing (decreasing) the porosity.

引用

页数：7

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