Crystal growth and electronic structure of low-temperature phase SrMgF4

被引：12

作者：

Atuchin, Victor V. ^{[1
,2
,3
]}

Goloshumova, Alina A. ^{[4
]}

Isaenko, Ludmila I. ^{[3
,4
]}

Jiang, Xingxing ^{[5
,6
]}

Lobanov, Sergey I. ^{[4
]}

Zhang, Zhaoming ^{[7
]}

Lin, Zheshuai ^{[5
]}

机构：

[1] SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia

[2] Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia

[3] Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia

[4] SB RAS, Inst Geol & Mineral, Lab Crystal Growth, Novosibirsk 630090, Russia

[5] Chinese Acad Sci, Tech Inst Phys & Chem, Key Lab Funct Crystals & Laser Technol, BCCRD, Beijing 100190, Peoples R China

[6] Univ Chinese Acad Sci, Beijing 100049, Peoples R China

[7] Australian Nucl Sci & Technol Org, Lucas Heights, NSW 2234, Australia

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 2016年 / 236卷

基金：

中国国家自然科学基金;

关键词：

Low-temperature phase SrMgF4; Single crystal growth; X-ray photoelectron spectroscopy; First-principles calculations; Electron structure; RAY PHOTOELECTRON-SPECTROSCOPY; SURFACE CHEMICAL-STABILITY; PHYSICAL-PROPERTIES; SINGLE-CRYSTAL; CORE LEVELS; FLUORIDE; TRANSITION; LUMINESCENCE; PARAMETERS; MECHANISM;

D O I：

10.1016/j.jssc.2015.07.024

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Using the vertical Bridgman method, the single crystal of low temperature phase SrMgF4 is obtained. The crystal is in a very good optical quality with the size of 10 x 7 x 5 mm(3). Detailed photoemission spectra of the element core levels are determined by a monochromatic AlKa (1486.6 eV) X-ray source. Moreover, the first-principles calculations are performed to investigate the electronic structure of SrMgF4. A good agreement between experimental and calculated results is achieved. It is demonstrated that almost all the electronic orbitals are strongly localized and the hybridization with the others is very small, but the Mg-F bonds covalency is relatively stronger than that of Sr-F bonds. (C) 2015 Elsevier Inc. All rights reserved.

引用

页码：89 / 93

页数：5

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