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N掺杂Cu_2O薄膜的光学性质及第一性原理分析

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Indexed by: Journal Article

Date of Publication: 2012-01-13

Journal: 物理学报

Included Journals: CSCD、ISTIC、PKU

Volume: 61

Issue: 4

Page Number: 380-385

ISSN: 1000-3290

Key Words: Cu_2O:N;禁带宽度;电子态密度

Abstract: 采用射频磁控溅射技术,在不同温度下制备了N掺杂Cu_2O薄膜.透射光谱分析发现,N掺杂导致Cu_2O成为允许的带隙直接跃迁半导体,并使Cu_2O的光学禁带宽度增加.不同温度下沉积的薄膜光学禁带宽度E_g=2.52±0.03 eV.第一性原理计算表明,N掺杂导致Cu_2O的禁带宽度增加了约25%,主要与价带顶下移和导带底上移有关,与实验报道基本符合.N的2p电子态分布不同于O原子,在价带顶附近具有较大的态密度是N掺杂Cu_2O变成允许的带隙直接跃迁半导体的根本原因.

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