Structural and Thermodynamic Properties of M3W3N (M=Fe, Co, Ni)

被引：0

作者：

Chen Yi ^{[1
]}

Shen Jiang ^{[1
]}

Chen Nan-Xian ^{[1
]}

机构：

[1] Univ Sci & Technol Beijing, Inst Appl Phys, Beijing 100083, Peoples R China

来源：

CHINESE PHYSICS LETTERS | 2009年 / 26卷 / 04期

关键词：

SITE PREFERENCE; ATOMISTIC SIMULATION; PHASE-STABILITY; METAL NITRIDES; GD; MO; CR; TI;

D O I：

暂无

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Ternary transition metal nitrides, Fe3W3N, Co3W3N, and Ni3W3N, are studied by the use of interatomic potentials acquired from lattice inversion. The study indicates that Fe3W3N would be more stable than the other compounds in the family of intermetallic tungsten nitrides. The investigation of phonon density of states indicates that the lower frequency modes are mostly excited by the metal atoms, and the higher frequency modes are mostly excited by the nitrogen atoms. A qualitative analysis is carried out with the relevant potentials for the phase stability and vibrational modes.

引用

页数：4

共 50 条

[1] Structural and thermodynamic properties of M3W3N (MFe, Co, Ni)
Chen, Yi
Shen, Jiang
Chen, Nan-Xian
Chinese Physics Letters, 2009, 26 (04)
[2] Structural, electronic and magnetic properties of η-carbides M3W3C (M = Ti, V, Cr, Mn, Fe, Co, Ni)
Suetin, D. V.
Medvedeva, N. I.
JOURNAL OF ALLOYS AND COMPOUNDS, 2016, 681 : 508 - 515
[3] Superconducting Properties of Boronitride La3M2B2N3-δ (M = Ni, Fe, Co)
Maesaka, Toshihide
Masubuchi, Toshihiro
Takase, Kouichi
Takano, Yoshiki
Watanabe, Tadataka
25TH INTERNATIONAL CONFERENCE ON LOW TEMPERATURE PHYSICS (LT25), PART 5: SUPERCONDUCTIVITY, 2009, 150
[4] Structural, electronic and magnetic properties of KMF3 (M = Mn, Fe, Co, Ni)
Dovesi, R
Fava, FF
Roetti, C
Saunders, VR
FARADAY DISCUSSIONS, 1997, 106 : 173 - 187
[5] Structural and Electronic Properties of TMn[(BN)3H6]m Complexes with TM = Co (n, m=1-3) and with TM = Fe, Ni, Ru, Rh, Pd (n = m=1-3)
Aguilera-Granja, F.
Aguilera-del-Toro, R. H.
Vega, A.
Balbas, L. C.
JOURNAL OF PHYSICAL CHEMISTRY A, 2014, 118 (16): : 2976 - 2983
[6] Chemistry of interstitial molybdenum ternary nitrides MnMo3N (M = Fe, Co, n = 3; M = Ni, n = 2)
Alconchel, S
Sapina, F
Beltran, D
Beltran, A
JOURNAL OF MATERIALS CHEMISTRY, 1998, 8 (08) : 1901 - 1909
[7] Synthesis, structure, and properties of Co3-yMySn3-xGex (M = Fe, Ni)
Morrison, Gregory
Haldolaarachchige, Neel
Young, David P.
Chan, Julia Y.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 245
[8] Structural and vibrational properties of carbonophosphates: Na3MCO3PO4 (M = Mn, Fe, Co and Ni)
Amaral, Ian R.
Alencar, Rafael S.
Paraguassu, Waldeci
Costa, Demetrio A. S.
Costa, Lorena A. C.
Montoro, Luciano A.
Souza Filho, Antonio G.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 223
[9] Structural, chemical bonding, electronic and magnetic properties of KMF3 (M = Mn, Fe, Co, Ni) compounds
Hayatullah
Murtaza, G.
Khenata, R.
Muhammad, S.
Reshak, A. H.
Wong, Kin Mun
Bin Omran, S.
Alahmed, Z. A.
COMPUTATIONAL MATERIALS SCIENCE, 2014, 85 : 402 - 408
[10] SYNTHESIS OF TRIANGULAR [RHM2CP3(CO)N] CLUSTERS (M=NI, N=2-M=FE, N=4-M=MO, W, N=6) - [RHMO2CP3(CO)6] AS CATALYST PRECURSOR IN THE CO
WALTHER, B
SCHEER, M
BOTTCHER, HC
TRUNSCHKE, A
EWALD, H
GUTSCHICK, D
MIESSNER, H
SKUPIN, M
VORBECK, G
INORGANICA CHIMICA ACTA, 1989, 156 (02) : 285 - 289

← 1 2 3 4 5 →