Ab initio molecular dynamics simulation of laser melting of silicon

被引：198
|
作者：
Silvestrelli, PL
Alavi, A
Parrinello, M
Frenkel, D
机构：
[1] QUEENS UNIV BELFAST,SCH MATH & PHYS,ATOMIST SIMULAT GRP,BELFAST BT7 1NN,ANTRIM,NORTH IRELAND
[2] FOM,INST ATOM & MOL PHYS,NL-1098 SJ AMSTERDAM,NETHERLANDS
来源：
PHYSICAL REVIEW LETTERS | 1996年 / 77卷 / 15期
关键词：
D O I：
10.1103/PhysRevLett.77.3149
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The method of nb initio molecular dynamics, based on finite temperature density functional theory, is used to simulate laser heating of crystal silicon. We have found that a high concentration of excited electrons dramatically weakens the covalent bond. As a result, the system undergoes a melting transition to a metallic state. In contrast to ordinary liquid silicon, the new liquid is characterized by a high coordination number and a strong reduction of covalent bonding effects.
引用
收藏
页码：3149 / 3152
页数：4
相关论文
共 50 条
  • [1] Ab initio molecular dynamics simulation of laser melting of graphite
    Silvestrelli, PL
    Parrinello, M
    [J]. JOURNAL OF APPLIED PHYSICS, 1998, 83 (05) : 2478 - 2483
  • [2] The melting temperature of bulk silicon from ab initio molecular dynamics simulations
    Yoo, Soohaeng
    Xantheas, Sotiris S.
    Zeng, Xiao Cheng
    [J]. CHEMICAL PHYSICS LETTERS, 2009, 481 (1-3) : 88 - 90
  • [3] Ab initio path integral molecular dynamics simulation of hydrogen in silicon
    Probert, M. I. J.
    Glover, M. J.
    [J]. HYDROGEN IN MATTER, 2006, 837 : 3 - +
  • [4] AN AB INITIO MOLECULAR DYNAMICS SIMULATION OF FEMTOSECOND LASER PROCESSING OF GERMANIUM
    Ji, Pengfei
    Zhang, Yuwen
    [J]. PROCEEDINGS OF THE ASME 4TH INTERNATIONAL CONFERENCE ON MICRO/NANOSCALE HEAT AND MASS TRANSFER - 2013, 2014,
  • [5] Ab initio molecular dynamics simulation of condensed molecular systems
    Sprik, M
    [J]. ELECTRICAL AND RELATED PROPERTIES OF ORGANIC SOLIDS, 1997, 24 : 395 - 401
  • [6] Ab initio molecular dynamics simulation of liquids and solutions
    Sprik, M
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1996, 8 (47) : 9405 - 9409
  • [7] Ab initio molecular dynamics simulation of ionic liquids
    Ghatee, Mohammad Hadi
    Ansari, Younes
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2007, 126 (15):
  • [8] Ab initio molecular dynamics simulation of liquids and solutions
    Sprik, M
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2000, 12 (8A) : A161 - A163
  • [9] Dynamics of liquid and undercooled silicon: An ab initio molecular dynamics study
    Jakse, N.
    Pasturel, A.
    [J]. PHYSICAL REVIEW B, 2009, 79 (14):
  • [10] Ab initio and classical molecular dynamics of neon melting at high pressure
    Koci, L.
    Ahuja, R.
    Belonoshko, A. B.
    [J]. PHYSICAL REVIEW B, 2007, 75 (21):
12345