Interplay of Atomic Interactions in the Intermetallic Semiconductor Be5Pt

被引：29

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

共 44 条

[1] Cluster Formation in the Superconducting Complex Intermetallic Compound Be21Pt5 [J].

Amon, Alfred ;

Ormeci, Alim ;

Bobnar, Matej ;

Akselrud, Lev G. ;

Avdeev, Maxim ;

Gumeniuk, Roman ;

Burkhardt, Ulrich ;

Prots, Yurii ;

Hennig, Christoph ;

Leithe-Jasper, Andreas ;

Grin, Yuri .

ACCOUNTS OF CHEMICAL RESEARCH, 2018, 51 (02) :214-222

[2] Singlet semiconductor to ferromagnetic metal transition in FeSi [J].

Anisimov, VI ;

Ezhov, SY ;

Elfimov, IS ;

Solovyev, IV ;

Rice, TM .

PHYSICAL REVIEW LETTERS, 1996, 76 (10) :1735-1738

[3] Intermetallic compounds in heterogeneous catalysis-a quickly developing field [J].

Armbruester, Marc ;

Schloegl, Robert ;

Grin, Yuri .

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS, 2014, 15 (03)

[4]

Bader R.F., 1995, Atoms in Molecules: A Quantum Theory

[5]

Bende D, 2016, SPRINGER SER MATER S, V222, P133, DOI 10.1007/978-3-319-21449-8_6

[6]

Bende D., 2017, Angew. Chem. Int. Ed, V129, P1333, DOI [10.1002/ange.201610029, DOI 10.1002/ANGE.201610029]

[7] Chemical Bonding Analysis as a Guide for the Preparation of New Compounds: The Case of VIrGe and HfPtGe [J].

Bende, David ;

Wagner, Frank R. ;

Sichevych, Olga ;

Grin, Yuri .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2017, 56 (05) :1313-1318

[8] Colossal Seebeck coefficient in strongly correlated semiconductor FeSb2 [J].

Bentien, A. ;

Johnsen, S. ;

Madsen, G. K. H. ;

Iversen, B. B. ;

Steglich, F. .

EPL, 2007, 80 (01)

[9] Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking [J].

Bhattacharya, Amrita ;

Carbogno, Christian ;

Boehme, Bodo ;

Baitinger, Michael ;

Grin, Yuri ;

Scheffler, Matthias .

PHYSICAL REVIEW LETTERS, 2017, 118 (23)

[10]

Bose J.C., 1900, Proceedings of the Royal Society of London, V65, P166

← 1 2 3 4 5 →