Electron momentum density in zinc oxide

被引：3

作者：

Kothari, R. K. ^{[1
]}

Sharma, M. ^{[2
]}

Joshi, K. B. ^{[3
]}

Sharma, B. K. ^{[1
]}

机构：

[1] Univ Rajasthan, Dept Phys, Jaipur 302004, Rajasthan, India

[2] Arya Coll Engn, Dept Phys, Jaipur, Rajasthan, India

[3] ML Sukhadia Univ, Univ Coll Sci, Dept Phys, Udaipur 313002, India

来源：

PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2009年 / 246卷 / 01期

关键词：

COMPTON-SCATTERING; HARTREE-FOCK; ZNO; ZINCBLENDE; PROFILE; ZNSE;

D O I：

10.1002/pssb.200844057

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

The electron momentum density distribution in zinc oxide is reported. The momentum density distribution is determined experimentally through Compton profile measurement on polycrystalline ZnO by employing an annular 50 Am 241 Compton spectrometer. Theoretical comparison is done through LCAO calculations under the hybrid scheme using CRYSTAL code. The calculated Compton profile is found to be in good agreement with the measurement. On the basis of equal-valence-electron-density (EVED) profiles, partial covalent character of bonding is observed in ZnO. ZnO is found to be more ionic than the ZnS and ZnSe. The charge transfer mediated by p-d hybridization is predicted to be responsible for the partial covalent nature. (C) 2009 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

引用

页码：124 / 128

页数：5

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