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Open-boundary Ehrenfest molecular dynamics: towards a model of current induced heating in nanowires

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Andrew P Horsfield1, D R Bowler1,2 and A J Fisher1,2

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[1]
Reed M A, Zhou C, Muller C J, Burgin T P and Tour J M 1997 Science 278 252
CrossRef 
[2]
Di Ventra M, Pantelides S T and Lang N D 2000 Appl. Phys. Lett. 76 3448
CrossRef 
[3]
Landauer R 1989 J. Phys.: Condens. Matter 1 8099
IOPscience 
[4]
Lang N 1995 Phys. Rev. B 52 5335
CrossRef 
[5]
Ness H and Fisher A J 1997 Phys. Rev. B 56 12469
CrossRef 
[6]
Sanvito S, Lambert C J, Jefferson J H and Bratkovsky A M 1999 Phys. Rev. B 59 11936
CrossRef 
[7]
Taylor J, Guo H and Wang J 2001 Phys. Rev. B 63 245407
CrossRef 
[8]
Brandbyge M, Mozos J L, Ordejon P, Taylor J and Stokbro K 2002 Phys. Rev. B 65 165401
CrossRef 
[9]
Todorov T N 2002 J. Phys.: Condens. Matter 14 3049
IOPscience 
[10]
Di Ventra M and Lang N D 2002 Phys. Rev. B 65 45402
CrossRef 
[11]
Montgomery M J, Todorov T N and Sutton A P 2002 J. Phys.: Condens. Matter 14 5377
IOPscience 
[12]
Todorov T N 1998 Phil. Mag. B 77 965
CrossRef 
[13]
Kohen D, Stillinger F H and Tully J C 1998 J. Chem. Phys. 109 4713
CrossRef 
[14]
Billing G D 1999 J. Chem. Phys. 110 5526
CrossRef 
[15]
Kapral R and Ciccotti G 1999 J. Chem. Phys. 110 8919
CrossRef 
[16]
Di Ventra M and Pantelides S T 2000 Phys. Rev. B 61 16207
CrossRef 
[17]
Goringe C M, Bowler D R and Hernández E 1997 Rep. Prog. Phys. 60 1447
IOPscience 
[18]
McWeeny R 1960 Rev. Mod. Phys. 32 335
CrossRef 
[19]
He L and Vanderbilt D 2001 Phys. Rev. Lett. 86 5341
CrossRef  PubMed 
[20]
Goedecker S 1999 Rev. Mod. Phys. 71 1085
CrossRef 
[21]
Baer R and Neuhauser D 2003 Chem. Phys. Lett. 374 459
CrossRef 
[22]
Calvayrac F, Reinhard P G, Suraud E and Ullrich C A 2000 Phys. Rep. 337 493
CrossRef 
[23]
Horsfield A P and Bratkovsky A M 2002 J. Phys.: Condens. Matter 12 R1
IOPscience 
[24]
Todorov T N 2001 J. Phys.: Condens. Matter 13 10125
IOPscience 
[25]
Todorov T N 2003 private communication

[26]
Williams A R, Feibelman P J and Lang N D 1982 Phys. Rev. B 26 5433
CrossRef 
[27]
López Sancho M P, López Sancho J M and Rubio J 1984 J. Phys. F: Met. Phys. 14 1205
IOPscience 
[28]
Baer R and Neuhauser D 2003 Int. J. Quantum Chem. 91 524
CrossRef 
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