Effect of high pressure on the phonon spectra and superconductivity in ZrN and HfN

IMR OpenIR

	Effect of high pressure on the phonon spectra and superconductivity in ZrN and HfN
	E. G. Maksimov; S. Q. Wang; M. V. Magnitskaya; S. V. Ebert
	2009
发表期刊	Superconductor Science & Technology
ISSN	0953-2048
卷号	22 期号:7
摘要	We report ab initio calculations of the phonon spectra, the electron-phonon interaction, and the superconducting transition temperature T(c) for zirconium and hafnium nitrides under high pressure. The calculated phonon densities of states are qualitatively similar to Raman spectra measured at various pressures up to 32 GPa. The critical temperature T(c) is determined by directly solving the Eliashberg equation using our calculated Eliashberg function. The pressure derivative of T(c) for ZrN is in good agreement with the low pressure experimental result. In the case of HfN, for which there are no relevant experimental data, the available phenomenological estimate of T(c) is significantly different from our first-principles prediction and we discuss the reasons for such a discrepancy. The calculated dependence T(c)(p) becomes nonlinear at p > 10 GPa. We show that in these compounds a decrease in T(c) upon compression mainly occurs because of a decrease in the electron-phonon coupling constant lambda, which is, in turn, due to an increase in the phonon frequencies.
部门归属	[maksimov, e. g.; ebert, s. v.] russian acad sci, pn lebedev phys inst, moscow 119991, russia. [wang, s. q.] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [magnitskaya, m. v.] russian acad sci, inst high pressure phys, troitsk 142190, moscow region, russia.;maksimov, eg (reprint author), russian acad sci, pn lebedev phys inst, moscow 119991, russia;maksimov@lpi.ru sqwang@imr.ac.cn
关键词	Transition-metal Nitrides Linear-response Theory Hydrostatic-pressure Physical-properties Temperature Anomalies Nbc Tin
URL	查看原文
WOS记录号	WOS:000267291300005
引用统计	被引频次：11[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/32195
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	E. G. Maksimov,S. Q. Wang,M. V. Magnitskaya,et al. Effect of high pressure on the phonon spectra and superconductivity in ZrN and HfN[J]. Superconductor Science & Technology,2009,22(7).
APA	E. G. Maksimov,S. Q. Wang,M. V. Magnitskaya,&S. V. Ebert.(2009).Effect of high pressure on the phonon spectra and superconductivity in ZrN and HfN.Superconductor Science & Technology,22(7).
MLA	E. G. Maksimov,et al."Effect of high pressure on the phonon spectra and superconductivity in ZrN and HfN".Superconductor Science & Technology 22.7(2009).