Structural, electronic, and optical properties of two-dimensional hafnium monoxide nanosheets

被引：2

作者：

Deng, Xinxin ^{[1
]}

Luo, Bingcheng ^{[1
,2
]}

Zhang, Zili ^{[1
]}

Zhao, Changchun ^{[1
]}

Shi, Mengjun ^{[1
]}

Tian, Enke ^{[1
]}

机构：

[1] China Univ Geosci, Sch Sci, Beijing 100083, Peoples R China

[2] Univ Cambridge, Dept Engn, Cambridge CB3 0FA, England

来源：

PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES | 2021年 / 130卷

基金：

中国国家自然科学基金;

关键词：

HfO; Two-dimensional materials; Tetragonal; Hexagonal; First-principles calculations; THERMAL TRANSPORT; MONOLAYER; OXIDES; ENERGY;

D O I：

10.1016/j.physe.2021.114690

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

Ultrathin two-dimensional transition metal oxides are highly desirable as promising materials for energy storage, gas sensors, photonic and electronic devices. In this work, we studied the structural stability, electronic structure and optical properties of two-dimensional hafnium monoxide with hexagonal and tetragonal lattice by the first principles calculations. Phonon dispersion reveals the lattice dynamic stability of hexagonal structures. Results of band structure showed that both hexagonal and tetragonal HfO nanosheets had highly anisotropic metallic behavior. The optical properties showed strong light absorption and anisotropy.

引用

页数：8

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