نوع مقاله : پژوهشی
نویسندگان
1 دانشجوی دکترای دانشگاه پیام نور تهران
2 دانشگاه پیام نور تهران
چکیده
فسفرین به عنوان یک بلور ناهمسانگرد توجه بسیاری را به خود جلب کرده است. از آنجا که ناهمسانگردی بلور به ویژگی‌های ناهمسانگرد و کاربردهای وسیعی می انجامد، ما نیز برآن شدیم که ویژگی های گرمایی این ماده را مورد بررسی قرار دهیم. در این مقاله ساختار نواری و طیف فونونی بلور تک لایه محاسبه شده و سپس با استفاده از روش دینامیک مولکولی، چگالی انرژی طیفی بدست آمده است. رسانندگی گرمایی فسفرین برای شاخه های مختلف فونونی بصورت مجزا محاسبه شده که نشان می‌دهد در راستای زیگزاگ شاخه LA و در راستای آرمچیر هر دو شاخه LA و TA نقش بسیار مهمی در رسانندگی گرمایی دارند. در بین شاخه های اپتیکی نیز B1g بیشترین تاثیر را در رسانندگی در هر دو راستا دارند. از سوی دیگر رسانندگی گرمایی الکترونی نیز مورد محاسبه قرار گرفته و این ماده بعنوان یک ترموالکتریک خوب به صنعت معرفی می‌گردد.
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