Ab initio molecular dynamics study of amorphous Ge

被引：9

作者：

Takeuchi, N

Garzon, IL

机构：

[1] Instituto de Frísica, Univ. Nac. Auton. de México, 228000 Ensenada, Baja California

来源：

SOLID STATE COMMUNICATIONS | 1996年 / 98卷 / 06期

关键词：

semiconductors; structural properties; electronic states;

D O I：

10.1016/0038-1098(95)00809-8

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

We present results of a first-principles molecular dynamics study of amorphous Ge. The calculations are performed at the density of crystal Ge (c-Ge). Our computer generated network describes the structural and electronic properties of amorphous Ge in good agreement with experiments and previous calculations.

引用

页码：591 / 594

页数：4

共 50 条

[1] Properties of molten Ge chalcogenides:: an ab initio molecular dynamics study
Raty, JY
Gaspard, JP
Bichara, C
[J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2003, 15 (01) : S167 - S173
[2] Liquid boron and amorphous boron: An ab initio molecular dynamics study
Durandurdu, Murat
[J]. JOURNAL OF NON-CRYSTALLINE SOLIDS, 2015, 417 : 10 - 14
[3] Amorphous zirconia: ab initio molecular dynamics simulations
Durandurdu, Murat
[J]. PHILOSOPHICAL MAGAZINE, 2017, 97 (16) : 1334 - 1345
[4] Ab initio molecular dynamics study of the Ge(111) surface at high temperature
Takeuchi, N
Selloni, A
Tosatti, E
[J]. SURFACES, VACUUM, AND THEIR APPLICATIONS, 1996, (378): : 57 - 60
[5] Structural properties of Ge-S amorphous networks in relationship with rigidity transitions: An ab initio molecular dynamics study
Chakraborty, S.
Boolchand, P.
Micoulaut, M.
[J]. PHYSICAL REVIEW B, 2017, 96 (09)
[6] Ab initio molecular dynamics study of amorphous CdTeOx alloys: Structural properties
Menendez-Proupin, E.
Giannozzi, P.
Peralta, J.
Gutierrez, G.
[J]. PHYSICAL REVIEW B, 2009, 79 (01)
[7] Characterization of amorphous In2O3: An ab initio molecular dynamics study
Aliano, Antonio
Catellani, Alessandra
Cicero, Giancarlo
[J]. APPLIED PHYSICS LETTERS, 2011, 99 (21)
[8] Infrared absorption in amorphous silicon from ab initio molecular dynamics
[J]. Appl Phys Lett, 18 (2692):
[9] Ab-initio molecular dynamics simulation of amorphous silica surface
Bernasconi, M
[J]. DEFECTS IN SIO2 AND RELATED DIELECTRICS: SCIENCE AND TECHNOLOGY, 2000, 2 : 371 - 390
[10] A first model of amorphous GaN from ab initio molecular dynamics
Drabold, DA
Stumm, P
[J]. III-V NITRIDES, 1997, 449 : 947 - 952

← 1 2 3 4 5 →