First principles investigations on electronic and magnetic properties of Fe: SnO monolayer
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[1] Hao Sun,et al. Valley-dependent topological phase transition and quantum anomalous valley Hall effect in single-layer RuClBr , 2022, Physical Review B.
[2] A. Sjåstad,et al. Prediction of intermediate band in Ti/V doped γ-In2S3 , 2022, RSC advances.
[3] C. Stampfer,et al. 2D materials for future heterogeneous electronics , 2021, Nature Communications.
[4] W. Mi,et al. Half-Metallicity and Magnetic Anisotropy in Transition-Metal-Atom-Doped Graphitic Germanium Carbide (g-GeC) Monolayers , 2021, The Journal of Physical Chemistry C.
[5] Yong Xu,et al. 2D materials: Rising star for future applications , 2021, Innovation.
[6] H. Soleimani,et al. Band structure engineering of NiS2 monolayer by transition metal doping , 2021, Scientific Reports.
[7] Aiyuan Hu,et al. Ferromagnetism With High Curie Temperature of Cu Doped LiMgN New Dilute Magnetic Semiconductors , 2021, Frontiers in Materials.
[8] P. Bogusławski,et al. Theory of the sp–d coupling of transition metal impurities with free carriers in ZnO , 2020, Scientific Reports.
[9] K. Zhou,et al. Vacancies and dopants in two-dimensional tin monoxide: An ab initio study , 2020, Applied Surface Science.
[10] Xiang Guo,et al. The magnetic, optical and electronic properties of Mn–X(X = O, Se, Te, Po) co-doped MoS2 monolayers via first principle calculation , 2020, Materials Research Express.
[11] B. Diény,et al. Review on spintronics: Principles and device applications , 2020, Journal of Magnetism and Magnetic Materials.
[12] Debajit Chakraborty,et al. Next-generation non-local van der Waals density functional. , 2020, Journal of chemical theory and computation.
[13] M. Tayyab,et al. Effect of Cu concentration and dopant site on the band gap of MoS2: A DFT study , 2020 .
[14] A. Benyoussef,et al. Rare-Earths (Pr, Pm, Sm, Dy, and Tm)-Doped SnO2: Ab Initio, Mean Field, and Monte Carlo Calculation , 2020, Journal of Superconductivity and Novel Magnetism.
[15] FIRST PRINCIPLES: , 2020, First Things.
[16] H. Iizuka,et al. Magnetic properties of 3d transition metal (Sc–Ni) doped plumbene , 2020, RSC advances.
[17] M. Abdel-Hafiez,et al. Effect of metal dopant on structural and magnetic properties of ZnO nanoparticles , 2020, Journal of Materials Science: Materials in Electronics.
[18] Li An,et al. Structure, elastic characteristic, ideal strengths, and phonon stability of binary uranium intermetallic UGe3 of AuCu3-type. , 2019, Physical chemistry chemical physics : PCCP.
[19] K. Zhou,et al. Strain-driven superplasticity of ultrathin tin (II) oxide films and the modulation of their electronic properties: A first-principles study , 2019 .
[20] Yufei Xue,et al. Effect of Fe doping concentration on photocatalytic performance of CeO2 from DFT insight into analysis , 2019, AIP Advances.
[21] A. Georges,et al. Superexchange mechanism and quantum many body excitations in the archetypal di-Cu oxo-bridge , 2019, Communications Physics.
[22] W. Mi,et al. Electronic structure and magnetic properties of 3d transition-metal atom adsorbed SnO monolayers , 2019, Applied Surface Science.
[23] Lixiu Guan,et al. Prediction of directional magnetic-exchange coupling in Mn doped γ-InSe monolayer , 2019, Results in Physics.
[24] Marjolein Dijkstra,et al. Thermal stability and electronic and magnetic properties of atomically thin 2D transition metal oxides , 2019, npj 2D Materials and Applications.
[25] Kostiantyn V. Sopiha,et al. Energy, Phonon, and Dynamic Stability Criteria of Two-Dimensional Materials. , 2019, ACS applied materials & interfaces.
[26] G. Mandal,et al. Significant reduction in the optical band-gap and defect assisted magnetic response in Fe-doped anatase TiO2 nanocrystals as dilute magnetic semiconductors , 2019, New Journal of Chemistry.
[27] Zikang Tang,et al. Super-exchange theory for polyvalent anion magnets , 2019, New Journal of Physics.
[28] Jinho Ahn,et al. Understanding of relationship between dopant and substitutional site to develop novel phase-change materials based on In3SbTe2 , 2019, Japanese Journal of Applied Physics.
[29] Kostiantyn V. Sopiha,et al. Energy, phonon, and dynamic stability criteria of 2d materials. , 2019, 1901.07202.
[30] Yu Yan,et al. Magnetism induced by Mn atom doping in SnO monolayer , 2018, Chinese Physics B.
[31] O. Yazyev,et al. Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table , 2018, 2D Materials.
[32] Xiaohong Li,et al. Adsorption of 3d transition-metal atom on InSe monolayer: A first-principles study , 2018, Computational Materials Science.
[33] Caizhuang Wang,et al. Tailoring Bandgap of Perovskite BaTiO3 by Transition Metals Co-Doping for Visible-Light Photoelectrical Applications: A First-Principles Study , 2018, Nanomaterials.
[34] Qingpu Wang,et al. Organic and inorganic passivation of p-type SnO thin-film transistors with different active layer thicknesses , 2018, Semiconductor Science and Technology.
[35] T. Rappoport,et al. Crystal-field effects in graphene with interface-induced spin-orbit coupling , 2018, Physical Review B.
[36] Sean Li,et al. Transition Metal-Doped Tin Monoxide Monolayer: A First-Principles Study , 2018 .
[37] Shishen Yan,et al. Intrinsic Dirac half-metal and quantum anomalous Hall phase in a hexagonal metal-oxide lattice , 2017 .
[38] H. Ohno,et al. Spintronics based random access memory: a review , 2017 .
[39] S. Ma,et al. Effect of Mn doping on the structural, morphological and optical properties of SnO2 nanoparticles prepared by Sol-gel method , 2017 .
[40] Lixiu Guan,et al. Tailoring the electronic and magnetic properties of monolayer SnO by B, C, N, O and F adatoms , 2017, Scientific Reports.
[41] B. Nanda,et al. Orbital driven impurity spin effect on the magnetic order of quasi-3D cupric oxide , 2016, Journal of physics. Condensed matter : an Institute of Physics journal.
[42] U. Schwingenschlögl,et al. Magnetism in 3d transition metal doped SnO , 2016 .
[43] Yan Zhang,et al. Structure and properties of phosphorene-like IV-VI 2D materials , 2016, Nanotechnology.
[44] B. Partoens,et al. Extended homologous series of Sn-O layered systems : a first-principles study , 2016, 1606.06187.
[45] Ashutosh Tiwari,et al. 2D Tin Monoxide—An Unexplored p‐Type van der Waals Semiconductor: Material Characteristics and Field Effect Transistors , 2016 .
[46] A. Neto,et al. Multiferroic Two-Dimensional Materials. , 2016, Physical review letters.
[47] M. G. Campbell,et al. Transition Metal d-Orbital Splitting Diagrams: An Updated Educational Resource for Square Planar Transition Metal Complexes , 2016 .
[48] E. Carter,et al. Cobalt (II) oxide and nickel (II) oxide alloys as potential intermediate-band semiconductors: A theoretical study , 2016 .
[49] Z. Fuchun,et al. Density Functional Theory Study on the Electronic Structure and Optical Properties of SnO2 , 2015 .
[50] A. Abbassi,et al. Magnetic Properties of Transition Metal-Doped CdSe , 2015 .
[51] G. Rignanese,et al. High-Mobility Bismuth-based Transparent p-Type Oxide from High-Throughput Material Screening , 2014, 1412.4429.
[52] Yisong Zheng,et al. First-principles study of 3d transition metal atom adsorption onto graphene: the role of the extended line defect , 2014 .
[53] Glenn Jones,et al. The influence of the Hubbard U parameter in simulating the catalytic behaviour of cerium oxide. , 2014, Physical chemistry chemical physics : PCCP.
[54] M. Tanveer,et al. Fabrication, characterization and magnetic properties of Mn-doped SnO nanostructures via hydrothermal method , 2014 .
[55] S. Naseem,et al. Ferromagnetic Effects in Cr-Doped Fe2O3 Thin Films , 2014, IEEE Transactions on Magnetics.
[56] Shiwei Lin,et al. First-principles study on transition metal-doped anatase TiO2 , 2014, Nanoscale Research Letters.
[57] D. Scanlon,et al. Understanding the defect chemistry of tin monoxide , 2013 .
[58] Xinlu Cheng,et al. Electronic and magnetic properties of all 3d transition-metal-doped ZnO monolayers , 2013 .
[59] A. Janotti,et al. Ambipolar doping in SnO , 2013 .
[60] Gerbrand Ceder,et al. Identification and design principles of low hole effective mass p-type transparent conducting oxides , 2013, Nature Communications.
[61] J. Woicik,et al. Origin of the Bipolar Doping Behavior of SnO from X-ray Spectroscopy and Density Functional Theory , 2013 .
[62] M. Halcrow. Jahn—Teller Distortions in Transition Metal Compounds, and Their Importance in Functional Molecular and Inorganic Materials , 2013 .
[63] B. Partoens,et al. van der Waals bonding and the quasiparticle band structure of SnO from first principles , 2013 .
[64] J. Wesselinowa,et al. Origin of ferromagnetism in transition metal doped BaTiO3 , 2013 .
[65] Husam N. Alshareef,et al. Record mobility in transparent p-type tin monoxide films and devices by phase engineering. , 2013, ACS nano.
[66] J. Burdett,et al. Orbital Interactions in Chemistry: Albright/Orbital Interactions in Chemistry , 2013 .
[67] J. Moussy. From epitaxial growth of ferrite thin films to spin-polarized tunnelling , 2013 .
[68] Jiahong Ma,et al. Electronic structure and magnetism of V-doped AlN , 2013 .
[69] R. Saleh,et al. The Effect of Co Incorporation into ZnO Nanoparticles , 2013 .
[70] Ying Dai,et al. Investigation of magnetic properties induced by group-V element in doped ZnO. , 2013, Physical chemistry chemical physics : PCCP.
[71] E. Kogan,et al. RKKY Interaction in Gapped or Doped Graphene , 2012, 1211.5775.
[72] Chunlei Yang,et al. Ga vacancy induced ferromagnetism enhancement and electronic structures of RE-doped GaN , 2012 .
[73] Chennupati Jagadish,et al. Magnetism of Co-doped ZnO epitaxially grown on a ZnO substrate , 2012 .
[74] S. Rao,et al. Concentration Dependence of Magnetic Moment in Ce 1-x Fe x O 2 , 2012 .
[75] S. C. Parker,et al. Tin Monoxide: Structural Prediction from First Principles Calculations with van der Waals Corrections , 2011 .
[76] V. Ji,et al. Structural, electronic and magnetic properties of the 3d transition metal atoms adsorbed on boron nitride nanotubes , 2010 .
[77] S. Grimme,et al. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. , 2010, The Journal of chemical physics.
[78] H. Hosono. Transparent Oxide Semiconductors: Fundamentals and Recent Progress , 2010 .
[79] N. English,et al. Magnetic properties of first-row element-doped ZnS semiconductors: A density functional theory investigation , 2009 .
[80] Youwei Du,et al. The origins of ferromagnetism in Co-doped ZnO single crystalline films: From bound magnetic polaron to free carrier-mediated exchange interaction , 2009 .
[81] S. Takeyama,et al. Electronic structures and p − d exchange interaction of Mn-doped diluted magnetic semiconductors , 2008 .
[82] Z. Sha,et al. Mechanism of ferromagnetism in nitrogen-doped ZnO: First-principle calculations , 2008 .
[83] M. Solà,et al. Importance of the basis set for the spin-state energetics of iron complexes. , 2008, The journal of physical chemistry. A.
[84] G. Fudenberg,et al. Ultrahigh electron mobility in suspended graphene , 2008, 0802.2389.
[85] M. Fanciulli,et al. Defect-related local magnetism at dilute Fe atoms in ion-implanted ZnO , 2007 .
[86] Sangam Banerjee,et al. Influence of Mn doping on the microstructure and optical property of ZnO , 2007 .
[87] Z. Xiong,et al. First-principles study of electronic structure and ferromagnetism in Ti-doped ZnO , 2007 .
[88] Christian Schmeiser,et al. On the Shockley-Read-Hall Model: Generation-Recombination in Semiconductors , 2007, SIAM J. Appl. Math..
[89] T. Dietl. Hole states in wide band-gap diluted magnetic semiconductors and oxides , 2007, cond-mat/0703278.
[90] E. Meĭlikhov. Diluted magnetic semiconductors with correlated impurities: Mean-field theory with RKKY interaction , 2007 .
[91] Isao Tanaka,et al. First-principles calculations of native defects in tin monoxide , 2006 .
[92] M. Engelhard,et al. Development of high-temperature ferromagnetism in Sn O 2 and paramagnetism in SnO by Fe doping , 2005 .
[93] M. Venkatesan,et al. Donor impurity band exchange in dilute ferromagnetic oxides , 2005, Nature materials.
[94] I. Turek,et al. Exchange interactions in III-V and group-IV diluted magnetic semiconductors , 2004 .
[95] M. Venkatesan,et al. Ferromagnetism in Fe-doped SnO2 thin films , 2004, cond-mat/0401293.
[96] F. Peeters,et al. Double-exchange mechanisms for Mn-doped III-V ferromagnetic semiconductors , 2003, cond-mat/0311525.
[97] Erik Van Lenthe,et al. Optimized Slater‐type basis sets for the elements 1–118 , 2003, J. Comput. Chem..
[98] Yu-Jun Zhao,et al. Ruderman-Kittel-Kasuya-Yosida-like ferromagnetism in MnxGe1-x. , 2003, Physical review letters.
[99] H. Nakayama,et al. Theoretical Prediction of Magnetic Properties of Ba(Ti1-xMx)O3 (M=Sc,V,Cr,Mn,Fe,Co,Ni,Cu) , 2001 .
[100] F. Matthias Bickelhaupt,et al. Chemistry with ADF , 2001, J. Comput. Chem..
[101] G. Watson. The origin of the electron distribution in SnO , 2001 .
[102] H. Ohno,et al. Zener model description of ferromagnetism in zinc-blende magnetic semiconductors , 2000, Science.
[103] P. Fazekas,et al. Lecture notes on electron correlation and magnetism , 1999 .
[104] Hideo Hosono,et al. P-type electrical conduction in transparent thin films of CuAlO2 , 1997, Nature.
[105] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[106] Kresse,et al. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. , 1996, Physical review. B, Condensed matter.
[107] Heinrich,et al. Transition-metal impurities in semiconductors and heterojunction band lineups. , 1988, Physical review. B, Condensed matter.
[108] Langer,et al. Transition-metal impurities in semiconductors and heterojunction band lineups. , 1988, Physical review letters.
[109] W. Schaap,et al. Computing Ligand Field Potentials and Relative Energies of d Orbitals. , 1970 .
[110] G. D. ADAM,et al. Physical Principles of Magnetism , 1966, Nature.
[111] J. Kanamori,et al. Superexchange interaction and symmetry properties of electron orbitals , 1959 .
[112] Wei-xiao Ji,et al. Strain-tunable skyrmions in two-dimensional monolayer Janus magnets. , 2023, Nanoscale.
[113] A. Bandyopadhyay,et al. Magnetic properties of Mn doped ZnO: A Monte Carlo simulation analysis , 2021 .
[114] Jinho Ahn,et al. Understanding of relationship between dopant and substitutional site to develop novel phase-change materials based on In 3 SbTe 2 , 2019 .
[115] 杨春雷,et al. Ga vacancy induced ferromagnetism enhancement and electronic structures of RE-doped GaN , 2012 .
[116] T. Kamiya,et al. Bipolar Conduction in SnO Thin Films , 2011 .
[117] N. Zheng. Introduction to Dilute Magnetic Semiconductors , 2008 .
[118] J. J. Morgan. Kinetics of reaction between O2 and Mn(II) species in aqueous solutions , 2005 .
[119] J. Goodenough. JAHN-TELLER PHENOMENA IN SOLIDS , 1998 .
[120] E. Coronado,et al. Exchange Interactions I: Mechanisms , 1996 .
[121] Joel S. Miller,et al. Molecular magnetism : from molecular assemblies to the devices , 1996 .
[122] Peter Pulay,et al. Geometry optimization by direct inversion in the iterative subspace , 1984 .
[123] T. A. Albright. Tetrahedron report number 126: Structure and reactivity in organometallic chemistry. An applied molecular orbital approach , 1982 .