<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue-Light, Helvetica Neue Light, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div id="yui_3_16_0_1_1444724875772_7612"><span>Dear All,</span></div><div dir="ltr" id="yui_3_16_0_1_1444724875772_7642"><span id="yui_3_16_0_1_1444724875772_7664"> I am trying to construct an antiferromagnetic structure using a binary semiconductor with inclusion of a transition metal with this stoichiometry A0.75B0.25C. Where AC is the binary semiconductor and B is the transition metal as it was discussed in this article <a id="yui_3_16_0_1_1444724875772_7921" href="http://dx.doi.org/10.1016/j.matchemphys.2015.07.010">http://dx.doi.org/10.1016/j.matchemphys.2015.07.010</a>. Here, a (1x1x1) eight atoms supercell was constructed which translate to 3 atoms of A and 1 atom of B with 4 atoms of C with the following positions;</span></div><div id="yui_3_16_0_1_1444724875772_8469" dir="ltr"><br><span id="yui_3_16_0_1_1444724875772_7664"></span><span id="yui_3_16_0_1_1444724875772_7664"> </span></div><div id="yui_3_16_0_1_1444724875772_8493" dir="ltr"><span id="yui_3_16_0_1_1444724875772_7664">B 0.00 0.00 0.00<br class="" id="yui_3_16_0_1_1444724875772_8454">A 0.00 0.50 0.50<br class="" id="yui_3_16_0_1_1444724875772_8456">A 0.50 0.00 0.50<br class="" id="yui_3_16_0_1_1444724875772_8458">A 0.50 0.50 0.00<br class="" id="yui_3_16_0_1_1444724875772_8460">C 0.25 0.25 0.25<br class="" id="yui_3_16_0_1_1444724875772_8462">C -0.25 -0.25 0.25<br class="" id="yui_3_16_0_1_1444724875772_8464">C -0.25 0.25 -0.25<br class="" id="yui_3_16_0_1_1444724875772_8466">C 0.25 -0.25 -0.25<br class="" id="yui_3_16_0_1_1444724875772_8468"><br></span></div><div id="yui_3_16_0_1_1444724875772_8431" dir="ltr"><span id="yui_3_16_0_1_1444724875772_7664"><br></span></div><div id="yui_3_16_0_1_1444724875772_8430" dir="ltr"><span id="yui_3_16_0_1_1444724875772_7664">Now, the question is if B takes positive magnetization value, then which one of A and B will takes the negative magnetization value. <br></span></div><div id="yui_3_16_0_1_1444724875772_8376" dir="ltr"><span id="yui_3_16_0_1_1444724875772_7664"><br></span></div><div id="yui_3_16_0_1_1444724875772_8375" dir="ltr"><span id="yui_3_16_0_1_1444724875772_7664">I will appreciate an elaborate explanation on this.</span></div><div id="yui_3_16_0_1_1444724875772_8350" dir="ltr"><span id="yui_3_16_0_1_1444724875772_7664"><br></span></div><div id="yui_3_16_0_1_1444724875772_8351" dir="ltr"><span id="yui_3_16_0_1_1444724875772_7664">Thanks</span></div><div dir="ltr"><span id="yui_3_16_0_1_1444724875772_7664">Ibrahim </span></div><div style="width:450px; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';margin-top:5px; margin-bottom: 5px; background-color: #ffffff;" id="enhancrCard_1" class="link-enhancr-attachment link-enhancr-element richcompose-card" contenteditable="false"><table id="yui_3_16_0_1_1444724875772_8280" class="link-enhancr-element" style="width:450px; height:170px; position: relative; display: block;" border="0" cellpadding="0" cellspacing="0"><tbody id="yui_3_16_0_1_1444724875772_8279"><tr id="yui_3_16_0_1_1444724875772_8283" class="link-enhancr-element"><td id="yui_3_16_0_1_1444724875772_8282" class="link-enhancr-element" colspan="8" style="height: 1px; background-color: #e5e5e5; font-size: 1px; border-collapse: collapse;"><div id="yui_3_16_0_1_1444724875772_8281" class="link-enhancr-element" style="height: 1px; background-color: #e5e5e5; font-size: 1px; line-height:0px;"> </div></td></tr><tr class="link-enhancr-element"><td rowspan="5" class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 1pt; border-collapse: collapse;"><div class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 1pt;"> </div></td><td class="link-enhancr-element link-enhancr-image-wrap enhancr-image-crop" rowspan="5" style="vertical-align: middle; width: 168px; height: 168px; background-color: rgb(255, 255, 255); border-collapse: collapse;"><div class="link-enhancr-element" style="width: 168px;" align="center"><a href="http://dx.doi.org/10.1016/j.matchemphys.2015.07.010" class="link-enhancr-card-urlWrapper link-enhancr-element" style="text-decoration: none !important;text-decoration:none; color: #000000 !important;"><img data-id="5ea98bf8-0045-ed4f-7d3e-8771986f9cc8" alt="image" src="http://www.sciencedirect.com/sd/grey_pxl.gif" class="link-enhancr-thumbnail-image link-enhancr-element yahoo-ignore-inline-image" style="display: block; margin: auto;" width="168" height="50"></a></div></td><td rowspan="5" class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 0pt; border-collapse: collapse;"><div class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 1pt;"> </div></td><td rowspan="5" class="link-enhancr-element" style="width: 14px; background-color: #ffffff; font-size: 0pt; border-collapse: collapse;"><div class="link-enhancr-element" style="width: 14px; background-color: #ffffff; font-size: 14pt;"> </div></td><td colspan="2" class="link-enhancr-element" style="height: 6px; background-color: #ffffff; font-size: 0pt; border-collapse: collapse;"><div class="link-enhancr-element" style="height: 6px; background-color: #ffffff; font-size: 6pt;"> </div></td><td rowspan="5" class="link-enhancr-element" style="width: 20px; background-color: #ffffff; font-size: 0pt; border-collapse: collapse;"><div class="link-enhancr-element" style="width: 20px; background-color: #ffffff; font-size: 20pt;"> </div></td><td class="link-enhancr-element" rowspan="5" style="width: 1px; background-color: #e5e5e5; font-size: 1pt; border-collapse: collapse;" width="1"><div class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 1pt;"> </div></td></tr><tr id="yui_3_16_0_1_1444724875772_8278"><td id="yui_3_16_0_1_1444724875772_8277" class="link-enhancr-element" colspan="2" style="width: 100%; vertical-align: middle; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';"><div id="yui_3_16_0_1_1444724875772_8276" class="link-enhancr-text-part link-enhancr-element" style="line-height:16.5px; background-color: #ffffff; height: 135px; width: 245px;"><div id="yui_3_16_0_1_1444724875772_8275" class="link-enhancr-element" style="word-wrap: break-word; word-break: break-all;"><span class="link-enhancr-element icon icon-shrink link-enhancr-toggle"></span><span id="yui_3_16_0_1_1444724875772_8274" class="link-enhancr-element icon icon-close link-enhancr-delete"></span><a id="yui_3_16_0_1_1444724875772_8285" href="http://dx.doi.org/10.1016/j.matchemphys.2015.07.010" class="link-enhancr-card-urlWrapper link-enhancr-element" style="text-decoration: none !important;text-decoration:none; color: #000000 !important; line-height: 100%; font-size: 18px; display: block;"><span id="yui_3_16_0_1_1444724875772_8284" class="link-enhancr-element link-enhancr-card-title" style="margin: 0; font-weight: normal;margin-bottom: 3px; font-size: 18px; line-height: 21px; max-height: 43px; color: #000000; overflow: hidden !important; display: inline-block;">Study of the Zn0.75M0.25Te (M = Fe, Co, Ni) diluted mag...</span></a><div style="font-size: 13px; line-height: 20px; color: #999999; max-height: 81px; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';overflow: hidden;" class="link-enhancr-card-description link-enhancr-element">Highlights • Ab initio calculations has been performed for Zn0.75M0.25Te (M = Fe, Co, Ni) alloys. • Equilibrium lattice constants were calculated for all three allo...</div></div></div></td></tr><tr><td colspan="2" class="link-enhancr-element" style="height: 4px; background-color: #ffffff; font-size: 0pt; border-collapse: collapse;"><div class="link-enhancr-element" style="height: 4px; 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background-color: #e5e5e5; font-size: 1px; line-height:0px"> </div></td></tr></tbody></table></div><div id="yui_3_16_0_1_1444724875772_7642"><br></div><div style="width:450px; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';margin-top:5px; margin-bottom: 5px; background-color: #ffffff;" id="enhancrCard_0" class="link-enhancr-attachment link-enhancr-element richcompose-card" contenteditable="false"><table id="yui_3_16_0_1_1444724875772_7872" class="link-enhancr-element" style="width:450px; height:170px; position: relative; display: block;" border="0" cellpadding="0" cellspacing="0"><tbody id="yui_3_16_0_1_1444724875772_7871"><tr class="link-enhancr-element"><td class="link-enhancr-element" colspan="8" style="height: 1px; background-color: #e5e5e5; font-size: 1px; border-collapse: collapse;"><div class="link-enhancr-element" style="height: 1px; background-color: #e5e5e5; font-size: 1px; line-height:0px;"> </div></td></tr><tr id="yui_3_16_0_1_1444724875772_7877" class="link-enhancr-element"><td rowspan="5" class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 1pt; border-collapse: collapse;"><div class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 1pt;"> </div></td><td id="yui_3_16_0_1_1444724875772_7878" class="link-enhancr-element link-enhancr-image-wrap enhancr-image-crop" rowspan="5" style="vertical-align: middle; width: 168px; height: 168px; background-color: rgb(255, 255, 255); border-collapse: collapse;"><div id="yui_3_16_0_1_1444724875772_7905" class="link-enhancr-element" style="width: 168px;" align="center"><a id="yui_3_16_0_1_1444724875772_7904" href="http://www.sciencedirect.com/science/article/pii/S0254058415302054" class="link-enhancr-card-urlWrapper link-enhancr-element" style="text-decoration: none !important;text-decoration:none; color: #000000 !important;"><img id="yui_3_16_0_1_1444724875772_7903" data-id="1d589556-5332-48c3-9759-76aa8af2f277" alt="image" src="http://www.sciencedirect.com/sd/grey_pxl.gif" class="link-enhancr-thumbnail-image link-enhancr-element yahoo-ignore-inline-image" style="display: block; 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background-color: #ffffff; font-size: 20pt;"> </div></td><td class="link-enhancr-element" rowspan="5" style="width: 1px; background-color: #e5e5e5; font-size: 1pt; border-collapse: collapse;" width="1"><div class="link-enhancr-element" style="width: 1px; background-color: #e5e5e5; font-size: 1pt;"> </div></td></tr><tr id="yui_3_16_0_1_1444724875772_7870"><td id="yui_3_16_0_1_1444724875772_7869" class="link-enhancr-element" colspan="2" style="width: 100%; vertical-align: middle; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';"><div id="yui_3_16_0_1_1444724875772_7875" class="link-enhancr-text-part link-enhancr-element" style="line-height:16.5px; background-color: #ffffff; height: 135px; width: 245px;"><div id="yui_3_16_0_1_1444724875772_7874" class="link-enhancr-element" style="word-wrap: break-word; word-break: break-all;"><span class="link-enhancr-element icon icon-shrink link-enhancr-toggle"></span><span class="link-enhancr-element icon icon-close link-enhancr-delete"></span><a id="yui_3_16_0_1_1444724875772_7912" href="http://www.sciencedirect.com/science/article/pii/S0254058415302054" class="link-enhancr-card-urlWrapper link-enhancr-element" style="text-decoration: none !important;text-decoration:none; color: #000000 !important; line-height: 100%; font-size: 18px; display: block;"><span id="yui_3_16_0_1_1444724875772_7911" class="link-enhancr-element link-enhancr-card-title" style="margin: 0; font-weight: normal;margin-bottom: 3px; font-size: 18px; line-height: 21px; max-height: 43px; color: #000000; overflow: hidden !important; display: inline-block;">Study of the Zn0.75M0.25Te (M = Fe, Co, Ni) diluted mag...</span></a><div id="yui_3_16_0_1_1444724875772_7873" style="font-size: 13px; line-height: 20px; color: #999999; max-height: 81px; font-family: 'Georgia', 'Times', 'Times New Roman', 'serif';overflow: hidden;" class="link-enhancr-card-description link-enhancr-element">Highlights • Ab initio calculations has been performed for Zn0.75M0.25Te (M = Fe, Co, Ni) alloys. • Equilibrium lattice constants were calculated for all three allo...</div></div></div></td></tr><tr><td colspan="2" class="link-enhancr-element" style="height: 4px; background-color: #ffffff; font-size: 0pt; border-collapse: collapse;"><div class="link-enhancr-element" style="height: 4px; 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background-color: #e5e5e5; font-size: 1px; line-height:0px"> </div></td></tr></tbody></table></div><div id="yui_3_16_0_1_1444724875772_7642"><br></div><div id="yui_3_16_0_1_1444724875772_7611"> </div><div id="yui_3_16_0_1_1444724875772_7601" class="signature"><div id="yui_3_16_0_1_1444724875772_7600">----------------------------------------------------------------------------------------------------<br>Permanent Address<br>Adetunji Bamidele Ibrahim(PhD)<br>Department of physics,University of Agriculture,<br>Abeokuta, Ogun State,Nigeria.<br>Tel: +2348060270603<br>---------------------------------------------------------------------------------------------------<br>"Lord give me a place to stand, and i will move the earth"<br></div></div></div></body></html>