Vibrational spectra of lead tetraborate: experimental and theoretical analysis

被引：9

作者：

Wang, Yufang ^{[1
]}

Feng, Min

Wang, Hui

Fu, Peizhen

Wang, Junxin

Cao, Xuewei

Lan, Guoxiang

机构：

[1] Nankai Univ, Dept Phys, Tianjin 300071, Peoples R China

[2] Chinese Acad Sci, Beijing Ctr Crystal Res & Dev, Tech Inst Phys & Chem, Beijing 100080, Peoples R China

[3] Univ Sci & Technol China, Sch Earth & Space Sci, Anhua 230026, Peoples R China

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2007年 / 19卷 / 43期

关键词：

D O I：

10.1088/0953-8984/19/43/436207

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Raman and infrared reflectance spectra of single-crystal lead tetraborate (PbB4O7 : PTB) have been recorded. Using a first-principles calculation, the phonon dispersion relation of PTB has been derived within the local density approximation. A symmetry analysis of the phonon modes at the centre of Brillouin zone was performed, and calculated frequencies are compared to experimental spectra. A good agreement between calculated and measured frequencies was obtained.

引用

页数：11

共 50 条

[1] An experimental and theoretical vibrational spectra of isoniazide
Yilmaz, Ayberk
Bolukbasi, Olcay
Bakiler, Meric
[J]. JOURNAL OF MOLECULAR STRUCTURE, 2008, 872 (2-3) : 182 - 189
[2] Experimental and theoretical study of the vibrational spectra of halothane
Czarnik-Matusewicz, B
Michalska, D
Sandorfy, C
Zeegers-Huyskens, T
[J]. CHEMICAL PHYSICS, 2006, 322 (03) : 331 - 342
[3] Theoretical and experimental vibrational spectra of kyotorphin dipeptide
Yilmaz, A
Akyuz, S
[J]. JOURNAL OF MOLECULAR STRUCTURE, 2005, 744 : 951 - 960
[4] Conformational analysis and comparison between theoretical and experimental vibrational spectra for chloroacetyl isocyanate
Badawi, HM
Förner, W
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2003, 59 (02) : 335 - 344
[5] Theoretical and experimental studies of the structure and vibrational spectra of NTO
Sorescu, DC
Sutton, TRL
Thompson, DL
Beardall, D
Wight, CA
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1996, 384 (2-3) : 87 - 99
[6] Conformational, structural analysis and vibrational spectra of a new carbacylamidophosphate compound: Experimental and theoretical study
Gholivand, Khodayar
Alizadehgan, Ahlam Madani
Arshadi, Sattar
Firooz, Azam Anaraki
[J]. JOURNAL OF MOLECULAR STRUCTURE, 2006, 791 (1-3) : 193 - 200
[7] An experimental and theoretical study of the vibrational spectra and structure of Isosorbide dinitrate
Maheswari, J. Uma
Muthu, S.
Sundius, Tom
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2013, 109 : 322 - 330
[8] Theoretical and experimental studies of vibrational spectra of naphthalene and its cation
Srivastava, Alka
Singh, V. B.
[J]. INDIAN JOURNAL OF PURE & APPLIED PHYSICS, 2007, 45 (09) : 714 - 720
[9] Experimental and theoretical study of vibrational spectra of 3-nitrofluoranthene
Onchoke, Kefa K.
Parks, Matthew
[J]. JOURNAL OF MOLECULAR STRUCTURE, 2011, 999 (1-3) : 22 - 28
[10] Theoretical and experimental studies on the vibrational spectra of 3-quinolinecarboxaldehyde
Kumru, M.
Kucuk, V.
Bardakci, T.
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2012, 90 : 28 - 34

← 1 2 3 4 5 →