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1

Design of Chern insulating phases in honeycomb lattices

Pickett, Warren E., Lee, Kwan-Woo, Pentcheva, Rossitza

Journal:

Physica C: Superconductivity

Year:

2018

Language:

english

File:

PDF, 204 KB

english, 2018

2

Interaction-driven spin-orbit effects and Chern insulating phases in corundum-based 4 d and 5 d oxide honeycomb lattices

Köksal, Okan, Pentcheva, Rossitza

Journal:

Journal of Physics and Chemistry of Solids

Year:

2018

Language:

english

File:

PDF, 16.21 MB

english, 2018

3

Sn-Doped Hematite for Photoelectrochemical Water Splitting: The Effect of Sn Concentration

Zhang, Siyuan, Hajiyani, Hamidreza, Hufnagel, Alexander G., Kampmann, Jonathan, Breitbach, Benjamin, Bein, Thomas, Fattakhova-Rohlfing, Dina, Pentcheva, Rossitza, Scheu, Christina

Journal:

Zeitschrift für Physikalische Chemie

Year:

2019

Language:

english

File:

PDF, 5.26 MB

english, 2019

4

Chern and Z2 topological insulating phases in perovskite-derived 4d and 5d oxide buckled honeycomb lattices

Köksal, Okan, Pentcheva, Rossitza

Journal:

Scientific Reports

Year:

2019

File:

PDF, 4.71 MB

2019

5

Density functional theory study of water adsorption on FeOOH surfaces

Katrin Otte, Wolfgang W. Schmahl, Rossitza Pentcheva

Journal:

Surface Science

Year:

2012

Language:

english

File:

PDF, 2.04 MB

english, 2012

6

Coverage-Dependent Adsorption Mode of Water on Fe 3 O 4 (001): Insights from First Principles Calculations

Mulakaluri, Narasimham, Pentcheva, Rossitza, Scheffler, Matthias

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.87 MB

english, 2010

7

(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface

Novotny, Zbynek, Mulakaluri, Narasimham, Edes, Zoltan, Schmid, Michael, Pentcheva, Rossitza, Diebold, Ulrike, Parkinson, Gareth S.

Journal:

Physical Review B

Year:

2013

Language:

english

File:

PDF, 3.70 MB

english, 2013

8

DFT+ U Study of Arsenate Adsorption on FeOOH Surfaces: Evidence for Competing Binding Mechanisms

Otte, Katrin, Schmahl, Wolfgang W., Pentcheva, Rossitza

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.05 MB

english, 2013

9

Quantum Wells: A Three-Orbital Strongly Correlated Generalization of Graphene

Doennig, David, Pickett, Warren E., Pentcheva, Rossitza

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 1.01 MB

english, 2013

10

(111) superlattices

Doennig, David, Pickett, Warren E., Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 2.87 MB

english, 2014

11

Hydrogen Adsorption and Site-Selective Reduction of the Fe 3 O 4 (001) Surface: Insights From First Principles

Mulakaluri, Narasimham, Pentcheva, Rossitza

Journal:

The Journal of Physical Chemistry C

Year:

2012

Language:

english

File:

PDF, 3.70 MB

english, 2012

12

heterostructures

Pentcheva, Rossitza, Nabi, Hasan Sadat

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 228 KB

english, 2008

13

Electronic structure and magnetism of EuTiO 3 : a first-principles study

Ranjan, Rajeev, Sadat Nabi, Hasan, Pentcheva, Rossitza

Journal:

Journal of Physics Condensed Matter

Year:

2007

Language:

english

File:

PDF, 352 KB

english, 2007

14

surface upon hydrogen adsorption

Parkinson, Gareth S., Mulakaluri, Narasimham, Losovyj, Yaroslav, Jacobson, Peter, Pentcheva, Rossitza, Diebold, Ulrike

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 422 KB

english, 2010

15

Pressure-induced structural and electronic transitions in FeOOH from first principles

Otte, Katrin, Pentcheva, Rossitza, Schmahl, Wolfgang W., Rustad, James R.

Journal:

Physical Review B

Year:

2009

Language:

english

File:

PDF, 799 KB

english, 2009

16

Correlation-Driven Charge Order at the Interface between a Mott and a Band Insulator

Pentcheva, Rossitza, Pickett, Warren E.

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 601 KB

english, 2007

17

interface

Pentcheva, Rossitza, Pickett, Warren E.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 268 KB

english, 2008

18

: Evidence for a ferrimagnetic ilmenite-type superlattice from first principles

Sadat Nabi, Hasan, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 520 KB

english, 2011

19

(001) towards the Fe-rich limit: Evidence for progressive reduction of the surface [Phys. Rev. B 87 , 195410 (2013)]

Novotny, Zbynek, Mulakaluri, Narasimham, Edes, Zoltan, Schmid, Michael, Pentcheva, Rossitza, Diebold, Ulrike, Parkinson, Gareth S.

Journal:

Physical Review B

Year:

2013

File:

PDF, 31 KB

2013

20

through Polar Distortion

Pentcheva, Rossitza, Pickett, Warren E.

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 479 KB

english, 2009

21

superlattices

Blanca-Romero, Ariadna, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 2.40 MB

english, 2011

22

Initial adsorption of Co on Cu(001): A first-principles investigation

Pentcheva, Rossitza, Scheffler, Matthias

Journal:

Physical Review B

Year:

2002

Language:

english

File:

PDF, 582 KB

english, 2002

23

Effect of strain on the stability and electronic properties of ferrimagnetic Fe[sub 2−x]Ti[sub x]O[sub 3] heterostructures from correlated band theory

Nabi, Hasan Sadat, Pentcheva, Rossitza

Journal:

Journal of Applied Physics

Year:

2009

Language:

english

File:

PDF, 646 KB

english, 2009

24

: Adsorbate Induced Charge and Orbital Order

Mulakaluri, Narasimham, Pentcheva, Rossitza, Wieland, Maria, Moritz, Wolfgang, Scheffler, Matthias

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 1.61 MB

english, 2009

25

superlattices [Phys. Rev. B 84 , 195450 (2011)]

Blanca-Romero, Ariadna, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2011

File:

PDF, 26 KB

2011

26

Electronic phenomena at complex oxide interfaces: insights from first principles

Pentcheva, Rossitza, Pickett, Warren E

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 1.83 MB

english, 2010

27

(001) interface by metallic contacts

Arras, Rémi, Ruiz, Victor G., Pickett, Warren E., Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 1.66 MB

english, 2012

28

Magnetic coupling parameters at an oxide-oxide interface from first principles:

Nabi, Hasan Sadat, Harrison, Richard J., Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2010

Language:

english

File:

PDF, 253 KB

english, 2010

29

Ab initio electronic structures of rhombohedral and cubic HgXO 3 (X = Ti,Pb)

Nabi, Hasan Sadat, Pentcheva, Rossitza, Ranjan, Rajeev

Journal:

Journal of Physics Condensed Matter

Year:

2010

Language:

english

File:

PDF, 1.26 MB

english, 2010

30

High Thermopower with Metallic Conductivity in p -Type Li-Substituted PbPdO 2

Lamontagne, Leo K., Laurita, Geneva, Gaultois, Michael W., Knight, Michael, Ghadbeigi, Leila, Sparks, Taylor D., Gruner, Markus E., Pentcheva, Rossitza, Brown, Craig M., Seshadri, Ram

Journal:

Chemistry of Materials

Year:

2016

Language:

english

File:

PDF, 1.60 MB

english, 2016

31

and

Gruner, Markus Ernst, Eckern, Ulrich, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2015

Language:

english

File:

PDF, 1.90 MB

english, 2015

32

Tailoring magnetic frustration in strained epitaxial FeRh films

Witte, Ralf, Kruk, Robert, Gruner, Markus E., Brand, Richard A., Wang, Di, Schlabach, Sabine, Beck, Andre, Provenzano, Virgil, Pentcheva, Rossitza, Wende, Heiko, Hahn, Horst

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 2.02 MB

english, 2016

33

oxide honeycomb lattices

Doennig, David, Baidya, Santu, Pickett, Warren E., Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2016

Language:

english

File:

PDF, 2.78 MB

english, 2016

34

Control of orbital reconstruction in (LaAlO3) M /(SrTiO3) N (001) quantum wells by strain and confinement

Doennig, David, Pentcheva, Rossitza

Journal:

Scientific Reports

Year:

2015

Language:

english

File:

PDF, 2.40 MB

english, 2015

35

ChemInform Abstract: High Thermopower with Metallic Conductivity in p-Type Li-Substituted PbPdO 2 .

Lamontagne, Leo K., Laurita, Geneva, Gaultois, Michael W., Knight, Michael, Ghadbeigi, Leila, Sparks, Taylor D., Gruner, Markus E., Pentcheva, Rossitza, Brown, Craig M., Seshadri, Ram

Journal:

Year:

2016

Language:

english

File:

PDF, 26 KB

english, 2016

36

Rock Salt Ni/Co Oxides with Unusual Nanoscale-Stabilized Composition as Water Splitting Electrocatalysts

Fominykh, Ksenia, Tok, Gülen Ceren, Zeller, Patrick, Hajiyani, Hamidreza, Miller, Thomas, Döblinger, Markus, Pentcheva, Rossitza, Bein, Thomas, Fattakhova-Rohlfing, Dina

Journal:

Advanced Functional Materials

Year:

2017

Language:

english

File:

PDF, 1.97 MB

english, 2017

37

Role of Composition and Size of Cobalt Ferrite Nanocrystals in the Oxygen Evolution Reaction

Chakrapani, Kalapu, Bendt, Georg, Hajiyani, Hamidreza, Schwarzrock, Ingo, Lunkenbein, Thomas, Salamon, Soma, Landers, Joachim, Wende, Heiko, Schlögl, Robert, Pentcheva, Rossitza, Behrens, Malte, Schul

Journal:

Year:

2017

Language:

english

File:

PDF, 4.22 MB

english, 2017

38

superlattices exploiting interface polarity

Geisler, Benjamin, Blanca-Romero, Ariadna, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 3.31 MB

english, 2017

39

Wide gap Chern Mott insulating phases achieved by design

Guo, Hongli, Gangopadhyay, Shruba, Köksal, Okan, Pentcheva, Rossitza, Pickett, Warren E.

Journal:

npj Quantum Materials

Year:

2017

Language:

english

File:

PDF, 1.85 MB

english, 2017

40

Ordering tendencies and electronic properties in quaternary Heusler derivatives

Neibecker, Pascal, Gruner, Markus E., Xu, Xiao, Kainuma, Ryosuke, Petry, Winfried, Pentcheva, Rossitza, Leitner, Michael

Journal:

Physical Review B

Year:

2017

Language:

english

File:

PDF, 849 KB

english, 2017

41

The Role of Composition of Uniform and Highly Dispersed Cobalt Vanadium Iron Spinel Nanocrystals for Oxygen Electrocatalysis

Chakrapani, Kalapu, Bendt, Georg, Hajiyani, Hamidreza, Lunkenbein, Thomas, Greiner, Mark, Masliuk, Liudmyla, Salamon, Soma, Landers, Joachim, Schloegl, Robert, Wende, Heiko, Pentcheva, Rossitza, Schul

Journal:

Year:

2017

Language:

english

File:

PDF, 2.29 MB

english, 2017

42

-oxide honeycomb lattices

Köksal, Okan, Baidya, Santu, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2018

Language:

english

File:

PDF, 3.23 MB

english, 2018

43

Why Tin-Doping Enhances the Efficiency of Hematite Photoanodes for Water Splitting-The Full Picture

Hufnagel, Alexander G., Hajiyani, Hamidreza, Zhang, Siyuan, Li, Tong, Kasian, Olga, Gault, Baptiste, Breitbach, Benjamin, Bein, Thomas, Fattakhova-Rohlfing, Dina, Scheu, Christina, Pentcheva, Rossitza

Journal:

Advanced Functional Materials

Year:

2018

Language:

english

File:

PDF, 2.64 MB

english, 2018

44

Surface termination and composition control of activity of the Co x Ni 1-x Fe 2 O 4 (001) surface for water oxidation: insights from DFT+ U calculations

Hajiyani, Hamidreza, Pentcheva, Rossitza

Journal:

Year:

2018

Language:

english

File:

PDF, 7.08 MB

english, 2018

45

, Cr, or Mn)

Verma, Manish, Geisler, Benjamin, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2019

Language:

english

File:

PDF, 2.52 MB

english, 2019

46

Extreme tensile strain states in La 0.7 Ca 0.3 MnO 3 membranes

Hong, Seung Sae, Gu, Mingqiang, Verma, Manish, Harbola, Varun, Wang, Bai Yang, Lu, Di, Vailionis, Arturas, Hikita, Yasuyuki, Pentcheva, Rossitza, Rondinelli, James M., Hwang, Harold Y.

Journal:

Year:

2020

Language:

english

File:

PDF, 706 KB

english, 2020

47

Influence of 3 d , 4 d , and 5 d dopants on the oxygen evolution reaction at Î±-Fe 2 O 3 (0001) under dark and illumination conditions

Hajiyani, Hamidreza, Pentcheva, Rossitza

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 5.01 MB

2020

48

(001)

Geisler, Benjamin, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2020

File:

PDF, 4.86 MB

2020

49

(001)

Geisler, Benjamin, Pentcheva, Rossitza

Journal:

Physical Review B

Year:

2020

File:

PDF, 2.81 MB

2020

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