Renata M. Wentzcovitch: search on Z-Library

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1

Atomic and electronic structure of exfoliated black phosphorus

Wu, Ryan J., Topsakal, Mehmet, Low, Tony, Robbins, Matthew C., Haratipour, Nazila, Jeong, Jong Seok, Wentzcovitch, Renata M., Koester, Steven J., Mkhoyan, K. Andre

Journal:

Journal of Vacuum Science & Technology A Vacuum Surfaces and Films

Year:

2015

Language:

english

File:

PDF, 3.84 MB

english, 2015

2

Persistence of strong silica-enriched domains in the Earth’s lower mantle

Ballmer, Maxim D., Houser, Christine, Hernlund, John W., Wentzcovitch, Renata M., Hirose, Kei

Journal:

Nature Geoscience

Year:

2017

Language:

english

File:

PDF, 4.69 MB

english, 2017

3

Experimental and theoretical equation of state of cubic boron nitride

Knittle, Elise, Wentzcovitch, Renata M., Jeanloz, Raymond, Cohen, Marvin L.

Journal:

Year:

1989

File:

PDF, 428 KB

1989

4

Carbon Allotrope

Umemoto, Koichiro, Wentzcovitch, Renata M., Saito, Susumu, Miyake, Takashi

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 543 KB

english, 2010

5

Elastic Anomalies in a Spin-Crossover System: Ferropericlase at Lower Mantle Conditions

Wu, Zhongqing, Justo, João F., Wentzcovitch, Renata M.

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 1.03 MB

english, 2013

6

Calculation of electronic and structural properties of

Tomanek, David, Wentzcovitch, Renata M., Louie, Steven G., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 303 KB

english, 1988

7

Quasiharmonic elastic constants corrected for deviatoric thermal stresses

Carrier, Pierre, Justo, João F., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

2008

Language:

english

File:

PDF, 184 KB

english, 2008

8

Stability of carbon nitride solids

Liu, Amy Y., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 197 KB

english, 1994

9

Quasiharmonic thermal elasticity of crystals: An analytical approach

Wu, Zhongqing, Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

2011

Language:

english

File:

PDF, 420 KB

english, 2011

10

Energy versus free-energy conservation in first-principles molecular dynamics

Wentzcovitch, Renata M., Martins, José Luís, Allen, Philip B.

Journal:

Physical Review B

Year:

1992

Language:

english

File:

PDF, 162 KB

english, 1992

11

Resistivity of the high-temperature metallic phase of

Allen, Philip B., Wentzcovitch, Renata M., Schulz, Werner W., Canfield, Paul C.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 213 KB

english, 1993

12

Ab initio study of graphite → diamondlike transitions in BN

Wentzcovitch, Renata M., Fahy, S., Cohen, Marvin L., Louie, Steven G.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 257 KB

english, 1988

13

Structural and electronic properties of WC

Liu, Amy Y., Wentzcovitch, Renata M., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 424 KB

english, 1988

14

Mechanical instabilities in

Keskar, Nitin R., Chelikowsky, James R., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 523 KB

english, 1994

15

Theoretical model for the hcp-bcc transition in Mg

Wentzcovitch, Renata M., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1988

Language:

english

File:

PDF, 672 KB

english, 1988

16

hcp-to-bcc pressure-induced transition in Mg simulated by ab initio molecular dynamics

Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1994

Language:

english

File:

PDF, 185 KB

english, 1994

17

N

Liu, Amy Y., Wentzcovitch, Renata M., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1989

Language:

english

File:

PDF, 334 KB

english, 1989

18

Electronic band structure and bonding in

Schulz, Werner W., Wentzcovitch, Renata M.

Journal:

Physical Review B

Year:

1993

Language:

english

File:

PDF, 372 KB

english, 1993

19

Theoretical study of BN, BP, and BAs at high pressures

Wentzcovitch, Renata M., Cohen, Marvin L., Lam, Pui K.

Journal:

Physical Review B

Year:

1987

Language:

english

File:

PDF, 654 KB

english, 1987

20

First-principles prediction of crystal structures at high temperatures using the quasiharmonic approximation

Carrier, Pierre, Wentzcovitch, Renata, Tsuchiya, Jun

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 228 KB

english, 2007

21

Electronic and structural properties of BN and BP

Wentzcovitch, Renata M., Chang, K. J., Cohen, Marvin L.

Journal:

Physical Review B

Year:

1986

Language:

english

File:

PDF, 930 KB

english, 1986

22

Ab initio study of water speciation in forsterite: Importance of the entropic effect

Qin, Tian, Wentzcovitch, Renata M., Umemoto, Koichiro, Hirschmann, Marc M., Kohlstedt, David L.

Journal:

American Mineralogist

Year:

2018

Language:

english

File:

PDF, 1.89 MB

english, 2018

23

Corrigendum to “Iron isotopic fractionation in mineral phases from Earth's lower mantle: Did terrestrial magma ocean crystallization fractionate iron isotopes?” [Earth Planet. Sci. Lett. 506 (2019) 113–122]

Yang, Hong, Lin, Jung-Fu, Hu, Michael Y., Roskosz, Mathieu, Bi, Wenli, Zhao, Jiyong, Alp, Esen E., Liu, Jin, Liu, Jiachao, Wentzcovitch, Renata M., Okuchi, Takuo, Dauphas, Nicolas

Journal:

Earth and Planetary Science Letters

Year:

2019

Language:

english

File:

PDF, 128 KB

english, 2019

24

Velocity and density characteristics of subducted oceanic crust and the origin of lower-mantle heterogeneities

Wang, Wenzhong, Xu, Yinhan, Sun, Daoyuan, Ni, Sidao, Wentzcovitch, Renata, Wu, Zhongqing

Journal:

Nature Communications

Year:

2020

File:

PDF, 1.49 MB

2020

25

Author Correction: Velocity and density characteristics of subducted oceanic crust and the origin of lower-mantle heterogeneities

Wang, Wenzhong, Xu, Yinhan, Sun, Daoyuan, Ni, Sidao, Wentzcovitch, Renata, Wu, Zhongqing

Journal:

Nature Communications

Year:

2020

File:

PDF, 280 KB

2020

26

σ-states contribution to the conductivity of BC3

Renata M. Wentzcovitch, Marvin L. Cohen, Steven G. Louie, David Tománek

Journal:

Solid State Communications

Year:

1988

Language:

english

File:

PDF, 271 KB

english, 1988

27

X1 and X3 states of electrons and phonons in zincblende type semiconductors

Renata M. Wentzcovitch, Manuel Cardona, Marvin L. Cohen, Niels E. Christensen

Journal:

Solid State Communications

Year:

1988

Language:

english

File:

PDF, 356 KB

english, 1988

28

First principles molecular dynamics of Li: Test of a new algorithm

Renata M. Wentzcovitch, JoséLuís Martins

Journal:

Solid State Communications

Year:

1991

Language:

english

File:

PDF, 462 KB

english, 1991

29

Electronic charge densities at valence and conduction band edges of ZnSe and CdTe

Renata M. Wentzcovitch, Steven L. Richardson, Marvin L. Cohen

Journal:

Physics Letters A

Year:

1986

Language:

english

File:

PDF, 288 KB

english, 1986

30

Comparative study of the density of states of graphite and BC3

Renata M. Wentzcovitch, Marvin L. Cohen, Steven G. Louie

Journal:

Physics Letters A

Year:

1988

Language:

english

File:

PDF, 234 KB

english, 1988

31

Metadata management for distributed first principles calculations in VLab—A collaborative cyberinfrastructure for materials computation

Pedro R.C. da Silveira, Cesar R.S. da Silva, Renata M. Wentzcovitch

Journal:

Computer Physics Communications

Year:

2008

Language:

english

File:

PDF, 786 KB

english, 2008

32

Low ↔ high density transformations in ice

Koichiro Umemoto, Renata M. Wentzcovitch

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 228 KB

english, 2005

33

Order–disorder phase boundary between ice VII and VIII obtained by first principles

Koichiro Umemoto, Renata M. Wentzcovitch, Stefano de Gironcoli, Stefano Baroni

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 763 KB

english, 2010

34

A density functional study of sodalite: a new view on an old system

Kendall T Thomson, Renata M Wentzcovitch, Alon McCormick, H.T Davis

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 136 KB

english, 1998

35

Electronic structure of Co1–xFexS2

Koichiro Umemoto, Renata M. Wentzcovitch, Lan Wang, Chris Leighton

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 305 KB

english, 2006

36

Pressure induced high spin to low spin transition in magnesiowüstite

Taku Tsuchiya, Renata M. Wentzcovitch, Cesar R. S. da Silva, Stefano de Gironcoli, Jun Tsuchiya

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 340 KB

english, 2006

37

Theory of spintronic materials

James R. Chelikowsky, Efthimios Kaxiras, Renata M. Wentzcovitch

Journal:

physica status solidi (b)

Year:

2006

Language:

english

File:

PDF, 741 KB

english, 2006

38

High pressure studies of Mantle minerals byab initiovariable cell shape molecular dynamics

Renata M. Wentzcovitch, G. David Price

Journal:

Molecular Engineering

Year:

1996

Language:

english

File:

PDF, 1.38 MB

english, 1996

39

Ab initio study of MgSiO3C2/c enstatite

Renata M. Wentzcovitch, D. A. Hugh-Jones, R. J. Angel, G. D. Price

Journal:

Physics and Chemistry of Minerals

Year:

1995

Language:

english

File:

PDF, 852 KB

english, 1995

40

Effect of thedelectrons on phase transitions in transition-metal sesquioxides

Koichiro Umemoto, Renata M. Wentzcovitch

Journal:

Physics and Chemistry of Minerals

Year:

2011

Language:

english

File:

PDF, 1.02 MB

english, 2011

41

Elastic Properties of Tricalcium Aluminate from High-Pressure Experiments and First-Principles Calculations

Juhyuk Moon, Seyoon Yoon, Renata M. Wentzcovitch, Simon M. Clark, Paulo J.M. Monteiro

Journal:

Journal of the American Ceramic Society

Year:

2012

Language:

english

File:

PDF, 495 KB

english, 2012

42

Ab initio study of MgSiO3 and CaSiO3 perovskites at lower-mantle pressures

Renata M. Wentzcovitch, Nancy L. Ross, G.D. Price

Journal:

Physics of the Earth and Planetary Interiors

Year:

1995

Language:

english

File:

PDF, 978 KB

english, 1995

43

Phase transition in MgSiO3 perovskite in the earth's lower mantle

Taku Tsuchiya, Jun Tsuchiya, Koichiro Umemoto, Renata M. Wentzcovitch

Journal:

Earth and Planetary Science Letters

Year:

2004

Language:

english

File:

PDF, 598 KB

english, 2004

44

α–β–γ transformations in Mg2SiO4 in Earth's transition zone

Yonggang G. Yu, Zhongqing Wu, Renata M. Wentzcovitch

Journal:

Earth and Planetary Science Letters

Year:

2008

Language:

english

File:

PDF, 948 KB

english, 2008

45

Spin transition in (Mg,Fe)SiO3 perovskite under pressure

Koichiro Umemoto, Renata M. Wentzcovitch, Yonggang G. Yu, Ryan Requist

Journal:

Earth and Planetary Science Letters

Year:

2008

Language:

english

File:

PDF, 1.17 MB

english, 2008

46

Spin states and hyperfine interactions of iron in (Mg,Fe)SiO3 perovskite under pressure

Han Hsu, Koichiro Umemoto, Peter Blaha, Renata M. Wentzcovitch

Journal:

Earth and Planetary Science Letters

Year:

2010

Language:

english

File:

PDF, 1.39 MB

english, 2010

47

Two-stage dissociation in MgSiO3 post-perovskite

Koichiro Umemoto, Renata M. Wentzcovitch

Journal:

Earth and Planetary Science Letters

Year:

2011

Language:

english

File:

PDF, 880 KB

english, 2011

48

Spin states and hyperfine interactions of iron incorporated in MgSiO3 post-perovskite

Yonggang G. Yu, Han Hsu, Matteo Cococcioni, Renata M. Wentzcovitch

Journal:

Earth and Planetary Science Letters

Year:

2012

Language:

english

File:

PDF, 923 KB

english, 2012

49

Thermoelastic properties of ringwoodite (Fex,Mg1−x)2SiO4: Its relationship to the 520 km seismic discontinuity

Maribel Núñez Valdez, Zhongqing Wu, Yonggang G. Yu, Justin Revenaugh, Renata M. Wentzcovitch

Journal:

Earth and Planetary Science Letters

Year:

2012

Language:

english

File:

PDF, 561 KB

english, 2012

50

Elasticity of CaSiO3 perovskite at high pressure and high temperature

Li Li, Donald J. Weidner, John Brodholt, Dario Alfè, G. David Price, Razvan Caracas, Renata Wentzcovitch

Journal:

Physics of the Earth and Planetary Interiors

Year:

2006

Language:

english

File:

PDF, 397 KB

english, 2006