TY - JOUR
T1 - The electronic structure of silicon
AU - Deutsch, Moshe
PY - 1991/3/11
Y1 - 1991/3/11
N2 - A detailed description of the electronic structure of the crystal-bound silicon atom is derived, using recent millielectron level accuracy X-ray structure factors. A 0.5% expansion of the L shell is detected for the first time, in addition to the known ∼6% expansion for the M shell. The breakdown of the rigid-atom approximation for the atomic thermal motion is demonstrated, and strong evidence is presented against an anharmonic term in the effective one-atom potential, in contrast with neutron measurement but in concord with recent X-ray results.
AB - A detailed description of the electronic structure of the crystal-bound silicon atom is derived, using recent millielectron level accuracy X-ray structure factors. A 0.5% expansion of the L shell is detected for the first time, in addition to the known ∼6% expansion for the M shell. The breakdown of the rigid-atom approximation for the atomic thermal motion is demonstrated, and strong evidence is presented against an anharmonic term in the effective one-atom potential, in contrast with neutron measurement but in concord with recent X-ray results.
UR - http://www.scopus.com/inward/record.url?scp=44949283540&partnerID=8YFLogxK
U2 - 10.1016/0375-9601(91)90960-g
DO - 10.1016/0375-9601(91)90960-g
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AN - SCOPUS:44949283540
SN - 0375-9601
VL - 153
SP - 368
EP - 372
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 6-7
ER -