Effects of the substrate on quantum well states: A first-principles study for Ag/Fe(100)

Citation:
Wei, CM, Chou MY.  2003.  Effects of the substrate on quantum well states: A first-principles study for Ag/Fe(100), Sep. Physical Review B. 68:5., Number 12

Abstract:

We have studied the properties of quantum well states in supported Ag(100) films on the Fe substrate by first-principles density-functional calculations. The energies of these quantum well states as a function of thickness N are examined in terms of the characteristic phase shift of the electronic wave function at the interface. These energy-dependent phase shifts are determined numerically for both the film-substrate and film-vacuum interfaces. It is also found that the substrate has a major effect on film stability, enhancing the stability of the N=5 film and reversing that of the N=2 film.

Notes:

ISI Document Delivery No.: 731AGTimes Cited: 29Cited Reference Count: 25Cited References: Hong HW, 2003, PHYS REV LETT, V90, DOI 10.1103/PhysRevLett.90.076104 Paggel JJ, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.233403 Otero R, 2002, PHYS REV B, V66, DOI 10.1103/PhysRevB.66.115401 Tang HR, 2002, CHEM PHYS LETT, V355, P410, DOI 10.1016/S0009-2614(02)00252-X Ogawa S, 2002, PHYS REV LETT, V88, DOI 10.1103/PhysRevLett.88.116801 Hupalo M, 2002, PHYS REV B, V65, DOI 10.1103/PhysRevB.65.205406 Qiu ZQ, 2002, J PHYS-CONDENS MAT, V14, pR169, DOI 10.1088/0953-8984/14/8/201 Hupalo M, 2001, SURF SCI, V493, P526, DOI 10.1016/S0039-6028(01)01262-6 Su WB, 2001, PHYS REV LETT, V86, P5116, DOI 10.1103/PhysRevLett.86.5116 Luh DA, 2001, SCIENCE, V292, P1131, DOI 10.1126/science.292.5519.1131 Paggel JJ, 2000, PHYS REV B, V61, P1804, DOI 10.1103/PhysRevB.61.1804 Chiang TC, 2000, SURF SCI REP, V39, P181, DOI 10.1016/S0167-5729(00)00006-6 Paggel JJ, 1999, SCIENCE, V283, P1709, DOI 10.1126/science.283.5408.1709 Zhang ZY, 1998, PHYS REV LETT, V80, P5381, DOI 10.1103/PhysRevLett.80.5381 Kresse G, 1996, PHYS REV B, V54, P11169, DOI 10.1103/PhysRevB.54.11169 Crampin S, 1996, PHYS REV B, V53, P13817, DOI 10.1103/PhysRevB.53.13817 SMITH NV, 1994, PHYS REV B, V49, P332, DOI 10.1103/PhysRevB.49.332 ORTEGA JE, 1993, PHYS REV B, V47, P1540, DOI 10.1103/PhysRevB.47.1540 ORTEGA JE, 1992, PHYS REV LETT, V69, P844, DOI 10.1103/PhysRevLett.69.844 PERDEW JP, 1991, ELECT STRUCTURE SOLI VANDERBILT D, 1990, PHYS REV B, V41, P7892, DOI 10.1103/PhysRevB.41.7892 BAIBICH MN, 1988, PHYS REV LETT, V61, P2472, DOI 10.1103/PhysRevLett.61.2472 MILLER T, 1988, PHYS REV LETT, V61, P1404, DOI 10.1103/PhysRevLett.61.1404 COLERIDGE PT, 1982, PHYS REV B, V25, P7818, DOI 10.1103/PhysRevB.25.7818 MCRAE EG, 1981, SURF SCI, V108, P435, DOI 10.1016/0039-6028(81)90559-8Wei, CM Chou, MYAMERICAN PHYSICAL SOCCOLLEGE PK

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