Interplay between magnetic, electronic, and vibrational effects in monolayer Mn3O4 grown on Pd(100)

被引：31

作者：

Franchini, C. ^{[1
,2
]}

Zabloudil, J. ^{[2
,3
]}

Podloucky, R. ^{[2
,3
]}

Allegretti, F. ^{[4
]}

Li, F. ^{[4
]}

Surnev, S. ^{[4
]}

Netzer, F. P. ^{[4
]}

机构：

[1] Univ Vienna, Fac Phys, A-1090 Vienna, Austria

[2] Ctr Computat Mat Sci, A-1060 Vienna, Austria

[3] Univ Vienna, Inst Phys Chem, A-1090 Vienna, Austria

[4] Karl Franzens Univ Graz, Inst Phys Surface & Interface Phys, A-8010 Graz, Austria

来源：

JOURNAL OF CHEMICAL PHYSICS | 2009年 / 130卷 / 12期

关键词：

electronic density of states; localised states; magnetic moments; manganese compounds; monolayers; palladium; surface phonons; thin films; vacancies (crystal); TOTAL-ENERGY CALCULATIONS; EPITAXIAL-GROWTH; NICKEL-OXIDE; SURFACE; PHASE;

D O I：

10.1063/1.3097957

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The surface stabilized MnO(100)-like monolayer, characterized by a regular c(4x2) distribution of Mn vacancies, is studied by hybrid functionals and discussed in the light of available scanning tunneling microscopy and high-resolution electron energy loss spectroscopy data. We show that the use of hybrid functionals is crucial to account for the intermingled nature of magnetic interactions, electron localization, structural distortions, and surface phonons. The proposed Pd(100) supported Mn3O4 structure is excellently compatible with the experiments previously reported in literature.

引用

页数：6

共 41 条

[31] Electric and Magnetic Properties of a CoFe2O4/PZT Bilayer Grown on (100)SrTiO3 by Using PLD
Zhang, X. D.
Dho, Joonghoe
JOURNAL OF THE KOREAN PHYSICAL SOCIETY, 2010, 56 (01) : 383 - 387
[32] Effects of deposition temperature on the structural, electrical and magnetic properties of Mn1.56Co0.96Ni0.48O4 spinel films grown on YSZ (100) substrates by pulsed laser deposition
Zhang Tao-Lue
Liu Fang
Lin Tie
Xu De-Cai
Hou Yun
JOURNAL OF INFRARED AND MILLIMETER WAVES, 2020, 39 (06) : 678 - 683
[33] A LEED I-V structural determination of the c(4x2) Ni3O4/Pd(100) monolayer phase:: an ordered array of Ni vacancies
Agnoli, S
Sambi, M
Granozzi, G
Atrei, A
Caffio, M
Rovida, G
SURFACE SCIENCE, 2005, 576 (1-3) : 1 - 8
[34] Electronic and Catalytic Effects of Single-Atom Pd Additives on the Hydrogen Sensing Properties of Co3O4 Nanoparticle Films
Koga, Kenji
ACS APPLIED MATERIALS & INTERFACES, 2020, 12 (18) : 20806 - 20823
[35] The effects of Mn/O doping on electronic structure and adsorption properties of g-C3N4: First-principles investigation
Xiong, Jian
Xiong, Bitao
Shang, Yongxing
Chen, Shuo
Zhao, Xiaodie
Xu, Xingliang
Li, Xing'ao
COMPUTATIONAL MATERIALS SCIENCE, 2025, 250
[36] Substrate Effects on In-Plane Magnetic Anisotropy and Verwey Transition Temperatures of (100) Magnetite (Fe3O4) Films
Dho, Joonghoe
Kim, Byeonggeon
Ki, Sanghoon
IEEE TRANSACTIONS ON MAGNETICS, 2016, 52 (07)
[37] Opto-magnetic interaction between electrochemiluminescent CdS:Mn film and Fe3O4 nanoparticles and its application to immunosensing
Shan, Yun
Xu, Jing-Juan
Chen, Hong-Yuan
CHEMICAL COMMUNICATIONS, 2010, 46 (23) : 4187 - 4189
[38] Proximity Effect induced transport Properties between MBE grown (Bi1-xSbx)2Se3 Topological Insulators and Magnetic Insulator CoFe2O4
Huang, Shun-Yu
Chong, Cheong-Wei
Tung, Yi
Chen, Tzu-Chin
Wu, Ki-Chi
Lee, Min-Kai
Huang, Jung-Chun-Andrew
Li, Z.
Qiu, H.
SCIENTIFIC REPORTS, 2017, 7
[39] Effect of oxygen partial pressure and temperature on NTC characteristics of Mn1.56Co0.96Ni0.48O4 thin films grown on SrTiO3 (100) by laser MBE
Xie, Yahong
Ji, Guang
Bu, Haijun
Kong, Wenwen
Gao, Bo
Yao, Jincheng
Chang, Aimin
Jiang, Chunping
JOURNAL OF ALLOYS AND COMPOUNDS, 2014, 611 : 100 - 103
[40] Spatial and Magnetic Factors for CH4 Oxidation on Pd Slabs in the Presence of Transition -Metal Me Cations Exchanged in γ-Al2O3 Support or MeAl2O4 Spinets, Me = Ni, Co, Mn
Rybakov, A. A.
Bryukhanov, I. A.
Todorova, S.
Velinova, R.
Naydenov, A.
Larin, A. V.
JOURNAL OF PHYSICAL CHEMISTRY C, 2020, 124 (01) : 605 - 615

← 1 2 3 4 5 →