Interplay of Atomic Interactions in the Intermetallic Semiconductor Be5Pt

被引：28

作者：

Amon, Alfred ^{[1
]}

Svanidze, Eteri ^{[1
]}

Ormeci, Alim ^{[1
]}

Koenig, Marcus ^{[1
]}

Kasinathan, Deepa ^{[1
]}

Takegami, Daisuke ^{[1
]}

Prots, Yurii ^{[1
]}

Liao, Yen-Fa ^{[2
]}

Tsuei, Ku-Ding ^{[2
]}

Tjeng, Liu Hao ^{[1
]}

Leithe-Jasper, Andreas ^{[1
]}

Grin, Yuri ^{[1
]}

机构：

[1] Max Planck Inst Chem Phys Fester Stoffe, Dept Chem Met, Nothnitzer Str 40, D-01277 Dresden, Germany

[2] Natl Synchrotron Radiat Res Ctr, 101 Hsin Ann Rd, Hsinchu 30076, Taiwan

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2019年 / 58卷 / 44期

关键词：

beryllium; chemical bonding; intermetallic compounds; platinum; semiconductors; CHEMICAL BONDING ANALYSIS; SPACE REPRESENTATION; CHEMISTRY; DENSITY; GOLD;

D O I：

10.1002/anie.201909782

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Semiconducting substances form one of the most important families of functional materials. However, semiconductors containing only metals are very rare. The chemical mechanisms behind their ground-state properties are only partially understood. Our investigations have rather unexpectedly revealed the semiconducting behaviour (band gap of 190 meV) for the intermetallic compound Be5Pt formed at a very low valence-electron count. Quantum-chemical analysis shows strong charge transfer from Be to Pt and reveals a three-dimensional entity of vertex-condensed empty Be-4 tetrahedrons with multi-atomic cluster bonds interpenetrated by the framework of Pt-filled vertex-condensed Be-4 tetrahedrons with two-atomic polar Be-Pt bonds. The combination of strong Coulomb interactions with relativistic effects results in a band gap.

引用

页码：15928 / 15933

页数：6

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