fa بررسی ویژگی‌های فونونی و گرمایی ترکیبات FeAl و Fe3Al با استفاده از شیوه شبه‌پتانسیل (مقاله پژوهشی) آوافیزیک Sonophysics پژوهشي Research <div style="text-align: justify;"><span style="font-size:11pt"><span style="text-justify:kashida"><span style="text-kashida:0%"><span style="direction:rtl"><span style="unicode-bidi:embed"><span style="font-family:Symbol"><span b="" lang="FA" nazanin="" style="font-family:">در این کار ویژگی‌های دینامیکی </span><span b="" lang="FA" nazanin="" style="font-family:">ترکیب </span><span dir="LTR" style="font-size:9.0pt"><span new="" roman="" style="font-family:" times="">FeAl</span></span><span b="" nazanin="" style="font-family:"> از </span><span b="" lang="FA" nazanin="" style="font-family:">جمله ساختار فونونی و ویژگی‌های گرمایی در دو فاز منظم ₃</span><span dir="LTR" style="font-size:9.0pt"><span new="" roman="" style="font-family:" times="">Do</span></span> <span b="" lang="FA" nazanin="" style="font-family:">و ₂</span><span dir="LTR" style="font-size:9.0pt"><span new="" roman="" style="font-family:" times="">B</span></span><span b="" nazanin="" style="font-family:"> مورد </span><span b="" lang="FA" nazanin="" style="font-family:">بررسی و محاسبه قرار </span><span b="" lang="FA" nazanin="" style="font-family:">گرفته </span><span b="" lang="FA" nazanin="" style="font-family:">است. محاسبات با </span><span b="" lang="FA" nazanin="" style="font-family:">استفاده </span><span b="" lang="FA" nazanin="" style="font-family:">از روش شبه‌پتانسیل، </span><span b="" lang="FA" nazanin="" style="font-family:">در </span><span b="" lang="FA" nazanin="" style="font-family:">چارچوب </span><span b="" lang="FA" nazanin="" style="font-family:">نظریۀ </span><span b="" lang="FA" nazanin="" style="font-family:">تابعی </span><span b="" lang="FA" nazanin="" style="font-family:">چگالی و </span><span b="" lang="FA" nazanin="" style="font-family:">با بستۀ نرم‌افزاری کوانتوم-</span> <span b="" lang="FA" nazanin="" style="font-family:">اسپرسو انجام شده است نتایج حاصل از </span><span b="" lang="FA" nazanin="" style="font-family:">بررسی ویژگی</span> <span b="" lang="FA" nazanin="" style="font-family:">های گرمایی </span><span b="" lang="FA" nazanin="" style="font-family:">نشان </span><span b="" lang="FA" nazanin="" style="font-family:">می</span> <span b="" lang="FA" nazanin="" style="font-family:">دهند </span><span b="" lang="FA" nazanin="" style="font-family:">که رفتار </span><span b="" lang="FA" nazanin="" style="font-family:">ظرفیت گرمایی ویژه فاز ₂</span><span dir="LTR" style="font-size:9.0pt"><span new="" roman="" style="font-family:" times="">B</span></span><span b="" nazanin="" style="font-family:"> در دماهای پایین به‌صورت ³</span><span dir="LTR" style="font-size:9.0pt"><span new="" roman="" style="font-family:" times="">T</span></span><span b="" lang="FA" nazanin="" style="font-family:"><span style="position:relative"><span style="top:2.0pt"> و در حد دماهای بالا به مقدار کلاسیکی قانون دولن-</span></span></span><span b="" lang="FA" nazanin="" style="font-family:"><span style="position:relative"><span style="top:2.0pt">پتی همگرا می&shy;شود که با نتایج تجربی سازگار است.</span></span></span><span lang="FA" style="font-family:"B Nazanin""></span></span></span></span></span></span></span></div> <div style="text-align: justify;"></div> <div style="text-align: justify;"><span style="font-size:12pt"><span style="text-justify:kashida"><span style="text-kashida:0%"><span style="line-height:150%"><span style="text-autospace:none"><span style="unicode-bidi:embed"><span new="" roman="" style="font-family:" times=""><span style="font-size:11.0pt"><span style="line-height:150%"><span style="color:black">Iron aluminide intermetallic compound, including compounds that have great features is that it&#39;s so great properties, due to its increasing use in industry is different. In thiswork, structural and dynamic properties of FeAl compounds including the structure of energybands, density of states, phonon and thermal properties in two-phase structures regularly evaluated and calculated. Calculations using a P</span></span></span><span style="font-size:11.0pt"><span style="line-height:150%">seudoptential</span></span><span style="font-size:11.0pt"><span style="line-height:150%"><span style="color:black">, within the framework of density functional theory have been studied PWscf code. The study found that the combination of these features in your base has a metal in ferromagnetic order, the results of the electronicstructure of this compound are indicative of metal and the structure of the electron cloud indicates the ionic bond -covalent for two phases results in good agreement with the experimental results are available.</span></span></span></span></span></span></span></span></span></span></div> آلومیناید آهن, خواص حراراتی, نظریۀ تابعی چگالی, کوانتوم- اسپرسو. FeAl, Thermal properties, Density functional theory, PWscf. 90 97 http://joasi.ir/browse.php?a_code=A-10-137-14&slc_lang=fa&sid=1 H. Salehi حمداله صالحی salehi_h@scu.ac.ir 10031947532846003190 10031947532846003190 Yes Shahid Chamran University of Ahvaz دانشگاه شهید چمران اهواز P. Amiri پیمان امیری amiri_physics@yahoo.com 10031947532846003191 10031947532846003191 No Shahid Chamran University of Ahvaz دانشگاه شهید چمران اهواز H. Zakavi Moghadam حمید ذکوی مقدم salehihamid@yahoo.com 10031947532846003192 10031947532846003192 No Shahid Chamran University of Ahvaz دانشگاه شهید چمران اهواز