Bismuth Doping of CdTe: The Effect of Spin-Orbit Coupling

被引：5

作者：

Alberto Rios-Gonzalez, Juan ^{[1
]}

Menendez-Proupin, Eduardo ^{[2
]}

Pena, Juan Luis ^{[1
]}

机构：

[1] CINVESTAV, Dept Fis Aplicada, Unidad Merida, Merida 97310, Yucatan, Mexico

[2] Univ Chile, Fac Ciencias, Dept Fis, Las Palmeras 3425, Santiago 7800003, Chile

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2020年 / 257卷 / 09期

关键词：

density functional theory; doping; intermediate bands; solar cells; spin-orbit coupling; SOLAR-CELLS;

D O I：

10.1002/pssb.201900693

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Using the Heyd, Scuseria, and Ernzerhof (HSE) hybrid functional, with the range-separation parameter modified to match the CdTe bandgap, the electronic structure and thermodynamic properties of bismuth-doped CdTe are calculated. The energy levels associated with bismuth in CdTe bandgap can be obtained only when the spin-orbit coupling (SOC) is included. Substitutional and interstitial Bi atom positions in CdTe lattice are investigated. Contrary to the outcome of calculations without SOC, these simple defects generate bands inside the CdTe bandgap. These bands can act as intermediate steps in two-step light absorption processes that lead to increasing the photocurrent in the solar cell.

引用

页数：7

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