FULL LIST

2018

93)

Title: Intrinsic and anisotropic Rashba spin splitting in Janus transition-metal dichalcogenide monolayers
Author(s): Hu, Tao; Jia, Fanhao; Zhao, Guodong; et al.
Source: Physical Review B Volume: 97 Issue: 23 Published: JUN 4 2018
DOI: 10.1103/PhysRevB.97.235404

92)

Title: Spin valley and giant quantum spin Hall gap of hydrofluorinated bismuth nanosheet
Author(s): Gao, Heng; Wu, Wei; Hu, Tao; et al.
Source: Scientific Reports Volume: Published: MAY 9 2018
DOI: 10.1038/s41598-018-25478-6 

2017

91)

Title: Brilliant triboluminescence in a potential organic-inorganic hybrid ferroelectric: (Ph3PO)(2)MnBr2
Author(s): Tang, Yuan-Yuan; Wang, Zhong-Xia; Li, Peng-Fei; et al.
Source: Inorganic Chemistry Frontiers Volume: Issue: Pages: 154-159 Published: 2017
DOI: 10.1039/c6qi00148c

90)

Title: Dipole Order in Halide Perovskites: Polarization and Rashba Band Splittings
Author(s): Hu, Shunbo; Gao, Heng; Qi, Yuting; et al.
Source: Journal of Physical Chemistry C Volume: 121 Issue: 41 Pages: 23045-23054 Published: OCT 19 2017
DOI: 10.1021/acs.jpcc.7b05929

89)

Title: Electric-Magneto-Optical Kerr Effect in a Hybrid Organic-Inorganic Perovskite
Author(s): Fan, Feng-Ren; Wu, Hua; Nabok, Dmitrii; et al.
Source: Journal of the American Chemical Society Volume: 139 Issue: 37 Pages: 12883-12886 Published: SEP 20 2017
DOI: 10.1021/jacs.7b04911

88)

Title: Electronic Structure of Linear Polyacenes
Author(s): Cimpoesu, Fanica; Buta, Cristina; Ferbinteanu, Marilena; et al.
Source: Current Organic Chemistry Volume: 21 Issue: 27 Pages: 2768-2775 Published: 2017
DOI: 10.2174/1385272821666170517145324

87)

Title: Ferroelectric polarization of hydroxyapatite from density functional theory
Author(s): Hu, Shunbo; Jia, Fanhao; Marinescu, Cornelia; et al.
Source: Rsc Advances Volume: Issue: 35 Pages: 21375-21379 Published: 2017
DOI: 10.1039/c7ra01900a

86)

Title: Improper ferroelectricity at antiferromagnetic domain walls of perovskite oxides
Author(s): Yang, Yali; Xiang, Hongjun; Zhao, Hongjian; et al.
Source: Physical Review B Volume: 96 Issue: 10 Published: SEP 22 2017
DOI: 10.1103/PhysRevB.96.104431

85)

Title: Lattice dynamics of Dirac node-line semimetal ZrSiS
Author(s): Zhou, Wei; Gao, Heng; Zhang, Junran; et al.
Source: Physical Review B Volume: 96 Issue: Published: AUG 4 2017
DOI: 10.1103/PhysRevB.96.064103

84)

Title: Magnetic Structures of Heterometallic M(II)-M(111) Formate Compounds
Author(s): Mazzuca, Lidia; Canadillas-Delgado, Laura; Alberto Rodriguez-Velamazan, J.; et al.
Source: Inorganic Chemistry Volume: 56 Issue: Pages: 197-207 Published: JAN 2 2017
DOI: 10.1021/acs.inorgchem.6b01866

83)

Title: On The Density Functional Theory Treatment of Lanthanide Coordination Compounds: A Comparative Study in a Series of Cu-Ln (Ln = Gd, Tb, Lu) Binuclear Complexes
Author(s): Ferbinteanu, Marilena; Stroppa, Alessandro; Scarrozza, Marco; et al.
Source: Inorganic Chemistry Volume: 56 Issue: 16 Pages: 9474-9485 Published: AUG 21 2017
DOI: 10.1021/acs.inorgchem.7b00587

82)

Title: Phase Transition, Dielectric Properties, and Ionic Transport in the [(CH3)(2)NH2]PbI3 Organic-Inorganic Hybrid with 2H-Hexagonal Perovskite Structure
Author(s): Garcia-Fernandez, A.; Bermudez-Garcia, J. M.; Castro-Garcia, S.; et al.
Source: Inorganic Chemistry Volume: 56 Issue: Pages: 4918-4927 Published: MAY 1 2017
DOI: 10.1021/acs.inorgchem.6b03095

81)

Title: Polar Nature of (CH3NH3)(3)Bi2I9 Perovskite-Like Hybrids
Author(s): Kamminga, Machteld E.; Stroppa, Alessandro; Picozzi, Silvia; et al.
Source: Inorganic Chemistry Volume: 56 Issue: Pages: 33-41 Published: JAN 2 2017
DOI: 10.1021/acs.inorgchem.6b01699

80)

Title: Revealing the role of thiocyanate anion in layered hybrid halide perovskite (CH3NH3)(2)Pb(SCN)(2)I-2
Author(s): Tang, Gang; Yang, Chao; Stroppa, Alessandro; et al.
Source: Journal of Chemical Physics Volume: 146 Issue: 22 Published: JUN 14 2017
DOI: 10.1063/1.4984615

79)

Title: Spin-reorientation magnetic transitions in Mn-doped SmFeO3
Author(s): Kang, Jian; Yang, Yali; Qian, Xiaolong; et al.
Source: Iucrj Volume: Pages: 598-603 Published: SEP 2017
DOI: 10.1107/S205225251700793X

78)

Title: Structural properties and strain engineering of a BeB2 monolayer from first-principles
Author(s): Jia, Fanhao; Qi, Yuting; Hu, Shunbo; et al.
Source: Rsc Advances Volume: Issue: 61 Pages: 38410-38414 Published: 2017
DOI: 10.1039/c7ra07137j

2016

77)

Title: Analogies between Jahn-Teller and Rashba spin physics
Author(s): Stroppa, Alessandro; Barone, Paolo; Di Sante, Domenico; et al.
Source: International Journal of Quantum Chemistry Volume: 116 Issue: 20 Pages: 1442-1450 Published: OCT 15 2016
DOI: 10.1002/qua.25209

76)

Title: Coexistence of Three Ferroic Orders in the Multiferroic Compound [(CH3)(4)N][Mn(N-3)(3)] with Perovskite-Like Structure
Author(s): Claudia Gomez-Aguirre, L.; Pato-Doldan, Breogan; Stroppa, Alessandro; et al.
Source: Chemistry-a European Journal Volume: 22 Issue: 23 Pages: 7863-7870 Published: JUN 1 2016
DOI: 10.1002/chem.201503445

75)

Title: Experimental and theoretical studies of structural phase transition in a novel polar perovskite-like [C2H5NH3][Na0.5Fe0.5(HCOO)(3)] formate
Author(s): Ptak, Maciej; Maczka, Miroslaw; Gagor, Anna; et al.
Source: Dalton Transactions Volume: 45 Issue: Pages: 2574-2583 Published: 2016
DOI: 10.1039/c5dt04536c

74)

Title: Intertwined Rashba, Dirac, and Weyl Fermions in Hexagonal Hyperferroelectrics
Author(s): Di Sante, Domenico; Barone, Paolo; Stroppa, Alessandro; et al.
Source: Physical Review Letters Volume: 117 Issue: Published: AUG 8 2016
DOI: 10.1103/PhysRevLett.117.076401

73)

Title: Lone-Pair-Electron-Driven Ionic Displacements in a Ferroelectric Metal-Organic Hybrid
Author(s): Zhao, Wen-Ping; Shi, Chao; Stroppa, Alessandro; et al.
Source: Inorganic Chemistry Volume: 55 Issue: 20 Pages: 10337-10342 Published: OCT 17 2016
DOI: 10.1021/acs.inorgchem.6b01545

72)

Title: Magnetic phase transition and giant anisotropic magnetic entropy change in TbFeO3 single crystal
Author(s): Cao, Yiming; Xiang, Maolin; Zhao, Weiyao; et al.
Source: Journal of Applied Physics Volume: 119 Issue: Published: FEB 14 2016
DOI: 10.1063/1.4941105

71)

Title: Magneto-electric coupling in antiferromagnet/ferroelectric Mn2Au/BaTiO3 interface
Author(s): Plekhanov, Evgeny; Stroppa, Alessandro; Picozzi, Silvia
Source: Journal of Applied Physics Volume: 120 Issue: Published: AUG 21 2016
DOI: 10.1063/1.4961213

70)

Title: Noble gas endohedral fullerenes, Ng@C-60 (Ng=Ar, Kr): a particular benchmark for assessing the account of non-covalent interactions by density functional theory calculations
Author(s): Frecus, Bogdan; Buta, Cristina M.; Oprea, Corneliu I.; et al.
Source: Theoretical Chemistry Accounts Volume: 135 Issue: Published: APR 25 2016
DOI: 10.1007/s00214-016-1883-z

69)

Title: Possibility of combining ferroelectricity and Rashba-like spin splitting in monolayers of the 1T-type transition-metal dichalcogenides MX2 (M = Mo, W; X = S, Se, Te)
Author(s): Bruyer, Emilie; Di Sante, Domenico; Barone, Paolo; et al.
Source: Physical Review B Volume: 94 Issue: 19 Published: NOV 3 2016
DOI: 10.1103/PhysRevB.94.195402

68)

Title: Role of Polar Phonons in the Photo Excited State of Metal Halide Perovskites
Author(s): Bokdam, Menno; Sander, Tobias; Stroppa, Alessandro; et al.
Source: Scientific Reports Volume: Published: JUN 28 2016
DOI: 10.1038/srep28618

67)

Title: Switchable electric polarization and ferroelectric domains in a metal-organic-framework
Author(s): Jain, Prashant; Stroppa, Alessandro; Nabok, Dmitrii; et al.
Source: Npj Quantum Materials Volume: Published: SEP 30 2016
DOI: 10.1038/npjquantmats.2016.12

66)

Title: Tuning the Weak Ferromagnetic States in Dysprosium Orthoferrite
Author(s): Cao, Shixun; Chen, Lei; Zhao, Weiyao; et al.
Source: Scientific Reports Volume: Published: NOV 25 2016
DOI: 10.1038/srep37529

2015

65)

Title: Anharmonic lattice interactions in improper ferroelectrics for multiferroic design
Author(s): Young, Joshua; Stroppa, Alessandro; Picozzi, Silvia; et al.
Source: Journal of Physics-Condensed Matter Volume: 27 Issue: 28 Published: JUL 22 2015
DOI: 10.1088/0953-8984/27/28/283202

64)

Title: Atomically precise semiconductor-graphene and hBN interfaces by Ge intercalation
Author(s): Verbitskiy, N. I.; Fedorov, A. V.; Profeta, G.; et al.
Source: Scientific Reports Volume: Published: DEC 7 2015
DOI: 10.1038/srep17700

63)

Title: Emergence of ferroelectricity and spin-valley properties in two-dimensional honeycomb binary compounds
Author(s): Di Sante, Domenico; Stroppa, Alessandro; Barone, Paolo; et al.
Source: Physical Review B Volume: 91 Issue: 16 Published: APR 6 2015
Times Cited: 29
DOI: 10.1103/PhysRevB.91.161401

62)

Title: Ferroelectric Polarization of CH3NH3PbI3: A Detailed Study Based on Density Functional Theory and Symmetry Mode Analysis
Author(s): Stroppa, Alessandro; Quarti, Claudio; De Angelis, Filippo; et al.
Source: Journal of Physical Chemistry Letters Volume: Issue: 12 Pages: 2223-2231 Published: JUN 18 2015
DOI: 10.1021/acs.jpclett.5b00542

61)

Title: High-temperature ferroelectricity and strong magnetoelectric effects in a hybrid organic-inorganic perovskite framework
Author(s): Tian, Ying; Stroppa, Alessandro; Chai, Yi-Sheng; et al.
Source: Physica Status Solidi-Rapid Research Letters Volume: Issue: Pages: 62-67 Published: JAN 2015
DOI: 10.1002/pssr.201409470

60)

Title: k dependence of the spin polarization in Mn5Ge3/Ge(111) thin films
Author(s): Ndiaye, W.; Mariot, J. -M.; De Padova, P.; et al.
Source: Physical Review B Volume: 91 Issue: 12 Published: MAR 11 2015
DOI: 10.1103/PhysRevB.91.125118 

59)

Title: Organic-inorganic hybrid perovskites ABI(3) (A = CH3NH3, NH2CHNH2; B = Sn, Pb) as potential thermoelectric materials: a density functional evaluation
Author(s): Lee, Changhoon; Hong, Jisook; Stroppa, Alessandro; et al.
Source: Rsc Advances Volume: Issue: 96 Pages: 78701-78707 Published: 2015
DOI: 10.1039/c5ra12536g

58)

Title: Room-Temperature Polar Order in [NH4][Cd(HCOO)(3)] – A Hybrid Inorganic-Organic Compound with a Unique Perovskite Architecture
Author(s): Gomez-Aguirre, L. C.; Pato-Doldan, B.; Stroppa, A.; et al.
Source: Inorganic Chemistry Volume: 54 Issue: Pages: 2109-2116 Published: MAR 2 2015
DOI: 10.1021/ic502218n

57)

Title: Strain Tuning of Ferroelectric Polarization in Hybrid Organic Inorganic Perovskite Compounds
Author(s): Ghosh, Saurabh; Di Sante, Domenico; Stroppa, Alessandro
Source: Journal of Physical Chemistry Letters Volume: Issue: 22 Pages: 4553-4559 Published: NOV 19 2015
DOI: 10.1021/acs.jpclett.5b01806

56)

Title: Tuning the ferroelectric polarization in AA’MnWO6 double perovskites through A cation substitution
Author(s): Young, Joshua; Stroppa, Alessandro; Picozzi, Silvia; et al.
Source: Dalton Transactions Volume: 44 Issue: 23 Pages: 10644-10653 Published: 2015
DOI: 10.1039/c4dt03521f

55)

Title: Zigzag antiferromagnetic quantum ground state in monoclinic honeycomb lattice antimonates A(3)Ni(2)SbO(6) (A = Li, Na)
Author(s): Zvereva, E. A.; Stratan, M. I.; Ovchenkov, Y. A.; et al.
Source: Physical Review B Volume: 92 Issue: 14 Published: OCT 1 2015
DOI: 10.1103/PhysRevB.92.144401

2014

54)

Title: Cross coupling between electric and magnetic orders in a multiferroic metal-organic framework
Author(s): Tian, Ying; Stroppa, Alessandro; Chai, Yisheng; et al.
Source: Scientific Reports Volume: Published: AUG 14 2014
DOI: 10.1038/srep06062

53)

Title: Local probing of multiferroics: First-principles study of hyperfine parameters in YMnO3 and YMn2O5
Author(s): Goncalves, J. N.; Amaral, V. S.; Correia, J. G.; et al.
Source: Jems 2013 – Joint European Magnetic Symposia Volume: 75 Published: 2014
DOI: 10.1051/epjconf/20147509002

52)

Title: Structural and ferroelectric transitions in magnetic nickelate PbNiO3
Author(s): Hao, X. F.; Stroppa, A.; Barone, P.; et al.
Source: New Journal of Physics Volume: 16 Published: JAN 30 2014
DOI: 10.1088/1367-2630/16/1/015030

51)

Title: Tunable ferroelectric polarization and its interplay with spin-orbit coupling in tin iodide perovskites
Author(s): Stroppa, Alessandro; Di Sante, Domenico; Barone, Paolo; et al.
Source: Nature Communications Volume: Published: DEC 2014
DOI: 10.1038/ncomms6900

50)

Title: Tuning order-by-disorder multiferroicity in CuO by doping
Author(s): Hellsvik, J.; Balestieri, M.; Usui, T.; et al.
Source: Physical Review B Volume: 90 Issue: Published: JUL 29 2014
DOI: 10.1103/PhysRevB.90.014437

2013

49)

Title: Bulk electronic structure of Mn5Ge3/Ge(111) films by angle-resolved photoemission spectroscopy
Author(s): Ndiaye, W.; Richter, M. C.; Heckmann, O.; et al.
Source: Physical Review B Volume: 87 Issue: 16 Published: APR 29 2013
DOI: 10.1103/PhysRevB.87.165137

48)

Title: Hybrid Improper Ferroelectricity in a Multiferroic and Magnetoelectric Metal-Organic Framework
Author(s): Stroppa, A.; Barone, P.; Jain, P.; et al.
Source: Advanced Materials Volume: 25 Issue: 16 Pages: 2284-2290 Published: APR 24 2013
DOI: 10.1002/adma.201204738

47)

Title: Kinetic asymmetry in the growth of two-dimensional Mn oxide nanostripes
Author(s): Obermueller, T.; Steurer, W.; Surnev, S.; et al.
Source: Physical Review B Volume: 88 Issue: 23 Published: DEC 6 2013
DOI: 10.1103/PhysRevB.88.235410

46)

Title: Polar and Magneto-Electric Properties of Anti-Ferrodistortive Ordered Jahn-Teller Distortions in a multiferroic metal-organic framework
Author(s): Stroppa, Alessandro;
Source: Xxist International Symposium on the Jahn-Teller Effect 2012 Volume: 428 Published: 2013
DOI: 10.1088/1742-6596/428/1/012029

45)

Title: Synthesis and Characterization of MnCrO4, a New Mixed-Valence Antiferromagnet
Author(s): Nalbandyan, Vladimir B.; Zvereva, Elena A.; Yalovega, Galina E.; et al.
Source: Inorganic Chemistry Volume: 52 Issue: 20 Pages: 11850-11858 Published: OCT 21 2013
DOI: 10.1021/ic401391b

44)

Title: The electronic structure of gas phase croconic acid compared to the condensed phase: More insight into the hydrogen bond interaction
Author(s): Bisti, F.; Stroppa, A.; Perrozzi, F.; et al.
Source: Journal of Chemical Physics Volume: 138 Issue: Published: JAN 7 2013
DOI: 10.1063/1.4773059

43)

Title: Tuning the Ferroelectric Polarization in a Multiferroic Metal-Organic Framework
Author(s): Di Sante, Domenico; Stroppa, Alessandro; Jain, Prashant; et al.
Source: Journal of the American Chemical Society Volume: 135 Issue: 48 Pages: 18126-18130 Published: DEC 4 2013
DOI: 10.1021/ja408283a

2012

42)

Title: Ab initio study of the relation between electric polarization and electric field gradients in ferroelectrics
Author(s): Goncalves, J. N.; Stroppa, A.; Correia, J. G.; et al.
Source: Physical Review B Volume: 86 Issue: Published: JUL 26 2012
DOI: 10.1103/PhysRevB.86.035145

41)

Title: Advances in ab-initio theory of multiferroics Materials and mechanisms: modelling and understanding
Author(s): Picozzi, S.; Stroppa, A.
Source: European Physical Journal B Volume: 85 Issue: Published: JUL 2012
DOI: 10.1140/epjb/e2012-30124-1

40)

Title: Effect of Au proximity on the LSMO surface: An ab initio study
Author(s): Petti, D.; Stroppa, A.; Picozzi, S.; et al.
Source: Journal of Magnetism and Magnetic Materials Volume: 324 Issue: 17 Pages: 2659-2663 Published: AUG 2012
DOI: 10.1016/j.jmmm.2012.03.038

39)

Title: Exceptionally large room-temperature ferroelectric polarization in the PbNiO3 multiferroic nickelate: First-principles study
Author(s): Hao, X. F.; Stroppa, A.; Picozzi, S.; et al.
Source: Physical Review B Volume: 86 Issue: Published: JUL 30 2012
DOI: 10.1103/PhysRevB.86.014116

38)

Title: Multiferroic and magnetoelectric metal-organic frameworks
Author(s): Stroppa, A.
Source: Nuovo Cimento C Volume: 35C Issue: Pages: 59-63 Published: Sept.-Oct. 2012
DOI: 10.1393/ncc/i2012-11310-x

37)

Title: Spin-phonon coupling effects in transition-metal perovskites: A DFT+U and hybrid-functional
Author(s): Hong, Jiawang; Stroppa, Alessandro; Iniguez, Jorge; et al.
Source: Physical Review B Volume: 85 Issue: Published: FEB 15 2012
DOI: 10.1103/PhysRevB.85.054417

36)

Title: Structural, electronic and ferroelectric properties of croconic acid crystal: a DFT study
Author(s): Di Sante, Domenico; Stroppa, Alessandro; Picozzi, Silvia
Source: Physical Chemistry Chemical Physics Volume: 14 Issue: 42 Pages: 14673-14681 Published: 2012
DOI: 10.1039/c2cp42127e

35)

Title: Unravelling the Role of the Central Metal Ion in the Electronic Structure of Tris(8-hydroxyquinoline) Metal Chelates: Photoemission Spectroscopy and Hybrid Functional Calculations
Author(s): Bisti, F.; Stroppa, A.; Donarelli, M.; et al.
Source: Journal of Physical Chemistry a Volume: 116 Issue: 47 Pages: 11548-11552 Published: NOV 29 2012
DOI: 10.1021/jp308303d

2011

34)

Title: Comment on “High-T-c Ferroelectricity Emerging from Magnetic Degeneracy in Cupric Oxide” Reply
Author(s): Giovannetti, Gianluca; Kumar, Sanjeev; Stroppa, Alessandro; et al.
Source: Physical Review Letters Volume: 107 Issue: 23 Published: NOV 29 2011
DOI: 10.1103/PhysRevLett.107.239702

33)

Title: Dielectric properties and magnetostriction of the collinear multiferroic spinel CdV2O4
Author(s): Giovannetti, G; Stroppa, A; Picozzi, S; et al.
Source: Physical Review B Volume: 83 Issue: Published: 2011
DOI: 10.1103/PhysRevB.83.060402

32)

Title: Electric Control of Magnetization and Interplay between Orbital Ordering and Ferroelectricity in a Multiferroic Metal-Organic Framework
Author(s): Stroppa, A; Jain, P; Barone, P; et al.
Source: Angewandte Chemie-International Edition Volume: 50 Issue: 26 Pages: 5847-5850 Published: 2011
DOI: 10.1002/anie.201101405

31)

Title: Electronic structure of tris(8-hydroxyquinolinato)aluminium(III) revisited using the Heyd-Scuseria-Ernzerhof hybrid functional: Theory and experiments
Author(s): Bisti, F.; Stroppa, A.; Donarelli, M.; et al.
Source: Physical Review B Volume: 84 Issue: 19 Published: NOV 9 2011
DOI: 10.1103/PhysRevB.84.195112

30)

Title: Fingerprints of the hydrogen bond in the photoemission spectra of croconic acid condensed phase: An x-ray photoelectron spectroscopy and ab-initio study
Author(s): Bisti, F; Stroppa, A; Picozzi, S; et al.
Source: Journal of Chemical Physics Volume: 134 Issue: 17 Published: 2011
DOI: 10.1063/1.3586813

29)

Title: Giovannetti et al. Reply:.
Author(s): Giovannetti, Gianluca; Kumar, Sanjeev; Stroppa, Alessandro; et al.
Source: Physical review letters Volume: 107 Issue: 23 Pages: 239702 Published: 2011-Dec-2

28)

Title: High-T-c Ferroelectricity Emerging from Magnetic Degeneracy in Cupric Oxide
Author(s): Giovannetti, G; Kumar, S; Stroppa, A; et al.
Source: Physical Review Letters Volume: 106 Issue: Published: 2011
DOI: 10.1103/PhysRevLett.106.026401

27)

Title: Large ferroelectric polarization in the new double perovskite NaLaMnWO6 induced by non-polar instabilities
Author(s): Fukushima, T; Stroppa, A; Picozzi, S; et al.
Source: Physical Chemistry Chemical Physics Volume: 13 Issue: 26 Pages: 12186-12190 Published: 2011
DOI: 10.1039/c1cp20626e

26)

Title: Polar distortions in hydrogen-bonded organic ferroelectrics
Author(s): Stroppa, Alessandro; Di Sante, Domenico; Horiuchi, Sachio; et al.
Source: Physical Review B Volume: 84 Issue: Published: JUL 15 2011
DOI: 10.1103/PhysRevB.84.014101

25)

Title: Revisiting Mn-doped Ge using the Heyd-Scuseria-Ernzerhof hybrid functional
Author(s): Stroppa, A; Kresse, G; Continenza, A
Source: Physical Review B Volume: 83 Issue: Published: 2011
DOI: 10.1103/PhysRevB.83.085201

24)

Title: Tuning the CO Dissociation Barriers by Low-Dimensional Surface Alloys
Author(s): Stroppa, A.; Mittendorfer, F.
Source: Journal of Physical Chemistry C Volume: 115 Issue: 43 Pages: 21320-21323 Published: NOV 3 2011
DOI: 10.1021/jp207498u

2010

23)

Title: Accurate surface and adsorption energies from many-body perturbation theory
Author(s): Schimka, L; Harl, J; Stroppa, A; et al.
Source: Nature Materials Volume: Issue: Pages: 741-744 Published: 2010
DOI: 10.1038/NMAT2806

22)

Title: Electronic structure of bimetallic Ni-Rh nanowires
Author(s): Wagner, M; Stroppa, A; Mittendorfer, F; et al.
Source: Surface Science Volume: 604 Issue: 17-18 Pages: 1406-1413 Published: 2010
DOI: 10.1016/j.susc.2010.05.001

21)

Title: Hybrid functional study of proper and improper multiferroics
Author(s): STROPPA, A; PICOZZI, S
Source: Physical Chemistry Chemical Physics Volume: 12 Issue: 20 Pages: 5405-5416 Published: 2010
DOI: 10.1039/b927508h

20)

Title: Magnetism in C- or N-doped MgO and ZnO: A Density-Functional Study of Impurity Pairs
Author(s): Wu, H; Stroppa, A; Sakong, S; et al.
Source: Physical Review Letters Volume: 105 Issue: 26 Published: 2010
DOI: 10.1103/PhysRevLett.105.267203

19)

Title: The multiferroic phase of DyFeO3: an ab initio study
Author(s): Stroppa, A; Marsman, M; Kresse, G; et al.
Source: New Journal of Physics Volume: 12 Published: 2010
DOI: 10.1088/1367-2630/12/9/093026

2009

18)

Title: Adsorption and Dissociation of CO on Bare and Ni-Decorated Stepped Rh(553) Surfaces
Author(s): STROPPA, A; MITTENDORFER, F; ANDERSEN, JN; et al.
Source: Journal of Physical Chemistry C Volume: 113 Issue: Pages: 942-949 Published: 2009
DOI: 10.1021/jp806424t

17)

Title: Multiferroicity in TTF-CA Organic Molecular Crystals Predicted through Ab Initio Calculations
Author(s): GIOVANNETTI, G; KUMAR, S; STROPPA, A; et al.
Source: Physical Review Letters Volume: 103 Issue: 26 Published: 2009
DOI: 10.1103/PhysRevLett.103.266401 

16)

Title: Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional
Author(s): STROPPA, A; KRESSE, G
Source: Physical Review B Volume: 79 Issue: 20 Published: 2009
DOI: 10.1103/PhysRevB.79.201201

2008

15)

Title: A RAIRS, TPD, and DFT study of carbon monoxide adsorption on stepped rh(553)
Author(s): KOCH, HP; SINGNURKAR, P; SCHENNACH, R; et al.
Source: Journal of Physical Chemistry C Volume: 112 Issue: Pages: 806-812 Published: 2008
DOI: 10.1021/jp076080b

14)

Title: Hybrid functionals applied to extended systems
Author(s): MARSMAN, M; PAIER, J; STROPPA, A; et al.
Source: Journal of Physics-Condensed Matter Volume: 20 Issue: Published: 2008
DOI: 10.1088/0953-8984/20/6/064201

13)

Title: Magneto-optical properties of (Ga,Mn)As: An ab initio determination
Author(s): STROPPA, A; PICOZZI, S; CONTINENZA, A; et al.
Source: Physical Review B Volume: 77 Issue: Published: 2008
DOI: 10.1103/PhysRevB.77.035208

12)

Title: Spin polarization tuning in Mn5-xFexGe3
Author(s): STROPPA, A; KRESSE, G; CONTINENZA, A
Source: Applied Physics Letters Volume: 93 Issue: Published: 2008
DOI: 10.1063/1.2977469

11)

Title: The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies
Author(s): STROPPA, A; KRESSE, G
Source: New Journal of Physics Volume: 10 Published: 2008
DOI: 10.1088/1367-2630/10/6/063020

2007

10)

Title: CO adsorption on metal surfaces: A hybrid functional study with plane-wave basis set
Author(s): STROPPA, A; TERMENTZIDIS, K; PAIER, J; et al.
Source: Physical Review B Volume: 76 Issue: 19 Published: 2007
DOI: 10.1103/PhysRevB.76.195440

9)

Title: Competing magnetic phases of Mn5Ge3 compound
Author(s): STROPPA, A; PERESSI, M
Source: Physica Status Solidi a-Applications and Materials Science Volume: 204 Issue: Pages: 44-52 Published: 2007
DOI: 10.1002/pssa.200673014

8)

Title: Computational and experimental imaging of Mn defects on GaAs (110) cross-sectional surfaces
Author(s): STROPPA, A; DUAN, X; PERESSI, M; et al.
Source: Physical Review B Volume: 75 Published: 2007
DOI: 10.1103/PhysRevB.75.195335

2006

7)

Title: Non-collinear magnetic states of Mn5Ge3 compound
Author(s): STROPPA, A; PERESSI, M
Source: Materials Science in Semiconductor Processing Volume: Issue: 4-5 Pages: 841-847 Published: 2006
DOI: 10.1016/j.mssp.2006.08.057

6)

Title: Structural and magnetic properties of Mn-doped GaAs(110) surface
Author(s): STROPPA, A; DUAN, X; PERESSI, M
Source: Materials Science and Engineering B-Solid State Materials For Advanced Technology Volume: 126 Issue: 2-3 Pages: 217-221 Published: 2006
DOI: 10.1016/j.mseb.2005.09.033

5)

Title: Structural, electronic and magnetic properties of Mn-doped GaAs(110) surface
Author(s): STROPPA, A
Source: Nuovo Cimento Della Societa Italiana Di Fisica C-Geophysics and Space Physics Volume: 29 Issue: Pages: 315-324 Published: 2006
DOI: 10.1393/ncc/i2005-10235-9

2005

4)

Title: Composition and strain dependence of band offsets at metamorphic InxGa1-xAs/InyAl1-yAs heterostructures
Author(s): STROPPA, A; PERESSI, M
Source: Physical Review B Volume: 71 Issue: 20 Published: MAY 2005
DOI: 10.1103/PhysRevB.71.205303

3)

Title: Structural properties and stability of defected ZnSe/GaAs(001) interfaces
Author(s): STROPPA, A; PERESSI, M
Source: Computational Materials Science Volume: 33 Issue: 1-3 Pages: 256-262 Published: 2005
DOI: 10.1016/j.commatsci.2004.12.049

2)

Title: ZnSe/GaAs(001) heterostructures with defected interfaces: Structural, thermodynamic, and electronic properties
Author(s): STROPPA, A; PERESSI, M
Source: Physical Review B Volume: 72 Issue: 24 Published: DEC 2005
DOI: 10.1103/PhysRevB.72.245304

2003

1)

Title: Electronic structure and ferromagnetism of Mn-doped group-IV semiconductors
Author(s): STROPPA, A; PICOZZI, S; CONTINENZA, A; et al.
Source: Physical Review B Volume: 68 Issue: 15 Published: OCT 15 2003
DOI: 10.1103/PhysRevB.68.155203

 

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