Electronic structures of semiconducting alkaline-earth metal silicides

被引：1

作者：

Imai, Y ^{[1
]}

Watanabe, A ^{[1
]}

Mukaida, M ^{[1
]}

Kobayashi, K ^{[1
]}

Tsunoda, T ^{[1
]}

机构：

[1] Natl Inst Adv Ind Sci Technol, AIST Tsukuba Cent 5, Tsukuba, Ibaraki 3058565, Japan

来源：

XXI INTERNATIONAL CONFERENCE ON THERMOELECTRICS, PROCEEDINGS ICT '02 | 2002年

关键词：

D O I：

10.1109/ICT.2002.1190274

中图分类号：

O414.1 [热力学];

学科分类号：

摘要：

Electronic structures and densities of states of the following alkaline-earth metal silicides have been calculated using the first-principle pseudopotential method; Mg2Si, BaSi2, Ca2Si, and Sr2Si. Energetics of these in their equilibrium structures in comparison with other hypothetical structures (i.e. Ca2Si-type Mg2Si and Mg2Si-type Ca2Si) are also considered to clarify the structural change of alkaline-earth metal silicides with the promotion to the heavier elements. The semiconducting behaviors of these could be predicted though the energy band gaps calculated were about 40% of the actual measured values. Energetics of the non-stoichiometry and the atomic site of dopants for Mg2Si are also discussed.

引用

页码：98 / 101

页数：4

共 50 条

[41] STRUCTURES AND MOLECULAR MOTIONS IN ALKALINE-EARTH HEXAMINES
GLAUNSINGER, WS
WHITE, TR
VONDREELE, RB
GORDON, DA
MARZKE, RF
BOWMAN, AL
YARNELL, JL
NATURE, 1978, 271 (5644) : 414 - 417
[42] BASI2 AND THIN-FILM ALKALINE-EARTH SILICIDES ON SILICON
MCKEE, RA
WALKER, FJ
CONNER, JR
RAJ, R
APPLIED PHYSICS LETTERS, 1993, 63 (20) : 2818 - 2820
[43] Topological nodal-line semimetals in alkaline-earth stannides, germanides, and silicides
Huang, Huaqing
Liu, Jianpeng
Vanderbilt, David
Duan, Wenhui
PHYSICAL REVIEW B, 2016, 93 (20)
[44] Structures, electronic properties, and superconductivities of alkaline-earth metal-doped phenanthrene and charge transfer characteristics of metal-doped phenanthrene
Gao, Lei
Zhong, Guo-Hua
Lin, Hai-Qing
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2020, 22 (41) : 23847 - 23855
[45] Alkaline-Earth Metal Alkylaluminate Chemistry Revisited
Michel, Olaf
Meermann, Christian
Tornroos, Karl W.
Anwander, Reiner
ORGANOMETALLICS, 2009, 28 (16) : 4783 - 4790
[46] Crystallographic characteristics and fine structures of semiconducting transition metal silicides
Shao, G.
Gao, Y.
Xia, X. H.
Milosavljevic, M.
THIN SOLID FILMS, 2011, 519 (24) : 8446 - 8450
[47] The Thermodynamic Properties of Alkaline-Earth Metal Antimonates
Kasenov, B. K.
Mukhanova, M. A.
Kasenova, S. B.
Mustafin, E. S.
Russian Journal of Physical Chemistry, 70 (01):
[48] Alkaline-earth metal phenylphosphonates and their intercalation chemistry
Melanova, Klara
Benes, Ludvik
Svoboda, Jan
Zima, Vitezslav
Pospisil, Miroslav
Kovar, Petr
DALTON TRANSACTIONS, 2018, 47 (09) : 2867 - 2880
[49] Ion association of alkaline and alkaline-earth metal perchlorates in acetonitrile
Eberspaecher, Pamela
Wismeth, Erwin
Buchner, Richard
Barthel, Josef
JOURNAL OF MOLECULAR LIQUIDS, 2006, 129 (1-2) : 3 - 12
[50] Alkaline-earth metal alkylaluminate chemistry revisited
Anwander, Reiner
Michel, Olaf
Meermann, Christian
Tornroos, Karl W.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238

← 1 2 3 4 5 →