Local Atomic Strain in ZnSe1-xTex from High Real Space Resolution Neutron Pair Distribution Function Measurements

P. F. Peterson; Th Proffen; I. K. Jeong; S. J.L. Billinge; K. S. Choi; M. G. Kanatzidis; P. G. Radaelli

doi:10.1103/PhysRevB.63.165211

Local Atomic Strain in ZnSe_1-xTe_x from High Real Space Resolution Neutron Pair Distribution Function Measurements

P. F. Peterson, Th Proffen, I. K. Jeong, S. J.L. Billinge, K. S. Choi, M. G. Kanatzidis, P. G. Radaelli

Research output: Contribution to journal › Article › peer-review

46 Scopus citations

Abstract

High real-space resolution atomic pair distribution functions (PDF’s) have been obtained from ZnSe_1-xTe_x using neutron powder diffraction. Distinct Zn-Se and Zn-Te nearest-neighbor (nn) bonds, differing in length by Δr=0.14 Å, are resolved in the measured PDF’s, allowing the evolution with composition of the individual bond lengths to be studied. The local bond lengths change much more slowly with doping than the average bond length obtained crystallographically. The nn bond-length distributions are constant with doping, but higher-neighbor pair distributions broaden significantly, indicating that most of the strain from the alloying is accommodated by bond-bending forces in the alloy. PDF’s of alloys across the whole doping range are well fit using a model based on the Kirkwood potential. The resulting PDF’s give excellent agreement with the measured PDF’s over the entire alloy range with no adjustable parameters.

Original language	English
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	63
Issue number	16
DOIs	https://doi.org/10.1103/PhysRevB.63.165211
State	Published - Apr 5 2001

Access to Document

10.1103/PhysRevB.63.165211

Cite this

@article{b053816409294240bb0f9e990549a025,

title = "Local Atomic Strain in ZnSe1-xTex from High Real Space Resolution Neutron Pair Distribution Function Measurements",

abstract = "High real-space resolution atomic pair distribution functions (PDF{\textquoteright}s) have been obtained from ZnSe1-xTex using neutron powder diffraction. Distinct Zn-Se and Zn-Te nearest-neighbor (nn) bonds, differing in length by Δr=0.14 {\AA}, are resolved in the measured PDF{\textquoteright}s, allowing the evolution with composition of the individual bond lengths to be studied. The local bond lengths change much more slowly with doping than the average bond length obtained crystallographically. The nn bond-length distributions are constant with doping, but higher-neighbor pair distributions broaden significantly, indicating that most of the strain from the alloying is accommodated by bond-bending forces in the alloy. PDF{\textquoteright}s of alloys across the whole doping range are well fit using a model based on the Kirkwood potential. The resulting PDF{\textquoteright}s give excellent agreement with the measured PDF{\textquoteright}s over the entire alloy range with no adjustable parameters.",

author = "Peterson, {P. F.} and Th Proffen and Jeong, {I. K.} and Billinge, {S. J.L.} and Choi, {K. S.} and Kanatzidis, {M. G.} and Radaelli, {P. G.}",

year = "2001",

month = apr,

day = "5",

doi = "10.1103/PhysRevB.63.165211",

language = "English",

volume = "63",

journal = "Physical Review B - Condensed Matter and Materials Physics",

issn = "1098-0121",

publisher = "American Physical Society",

number = "16",

}

TY - JOUR

T1 - Local Atomic Strain in ZnSe1-xTex from High Real Space Resolution Neutron Pair Distribution Function Measurements

AU - Peterson, P. F.

AU - Proffen, Th

AU - Jeong, I. K.

AU - Billinge, S. J.L.

AU - Choi, K. S.

AU - Kanatzidis, M. G.

AU - Radaelli, P. G.

PY - 2001/4/5

Y1 - 2001/4/5

N2 - High real-space resolution atomic pair distribution functions (PDF’s) have been obtained from ZnSe1-xTex using neutron powder diffraction. Distinct Zn-Se and Zn-Te nearest-neighbor (nn) bonds, differing in length by Δr=0.14 Å, are resolved in the measured PDF’s, allowing the evolution with composition of the individual bond lengths to be studied. The local bond lengths change much more slowly with doping than the average bond length obtained crystallographically. The nn bond-length distributions are constant with doping, but higher-neighbor pair distributions broaden significantly, indicating that most of the strain from the alloying is accommodated by bond-bending forces in the alloy. PDF’s of alloys across the whole doping range are well fit using a model based on the Kirkwood potential. The resulting PDF’s give excellent agreement with the measured PDF’s over the entire alloy range with no adjustable parameters.

AB - High real-space resolution atomic pair distribution functions (PDF’s) have been obtained from ZnSe1-xTex using neutron powder diffraction. Distinct Zn-Se and Zn-Te nearest-neighbor (nn) bonds, differing in length by Δr=0.14 Å, are resolved in the measured PDF’s, allowing the evolution with composition of the individual bond lengths to be studied. The local bond lengths change much more slowly with doping than the average bond length obtained crystallographically. The nn bond-length distributions are constant with doping, but higher-neighbor pair distributions broaden significantly, indicating that most of the strain from the alloying is accommodated by bond-bending forces in the alloy. PDF’s of alloys across the whole doping range are well fit using a model based on the Kirkwood potential. The resulting PDF’s give excellent agreement with the measured PDF’s over the entire alloy range with no adjustable parameters.

UR - http://www.scopus.com/inward/record.url?scp=0034884844&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.63.165211

DO - 10.1103/PhysRevB.63.165211

M3 - Article

AN - SCOPUS:0034884844

SN - 1098-0121

VL - 63

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 16

ER -

Local Atomic Strain in ZnSe_1-xTe_x from High Real Space Resolution Neutron Pair Distribution Function Measurements

Abstract

Access to Document

Other files and links

Fingerprint

Cite this